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[ CAS No. 6404-28-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6404-28-0
Chemical Structure| 6404-28-0
Structure of 6404-28-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6404-28-0 ]

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Product Details of [ 6404-28-0 ]

CAS No. :6404-28-0 MDL No. :MFCD00037270
Formula : C11H21NO4 Boiling Point : No data available
Linear Structure Formula :C5H9O2NHCH(CO2H)C4H9 InChI Key :ZIOCIQJXEKFHJO-QMMMGPOBSA-N
M.W : 231.29 Pubchem ID :2733747
Synonyms :

Calculated chemistry of [ 6404-28-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.82
Num. rotatable bonds : 8
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 61.28
TPSA : 75.63 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.5
Log Po/w (XLOGP3) : 2.35
Log Po/w (WLOGP) : 2.15
Log Po/w (MLOGP) : 1.42
Log Po/w (SILICOS-IT) : 1.07
Consensus Log Po/w : 1.9

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.23
Solubility : 1.37 mg/ml ; 0.00594 mol/l
Class : Soluble
Log S (Ali) : -3.58
Solubility : 0.0611 mg/ml ; 0.000264 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.86
Solubility : 3.17 mg/ml ; 0.0137 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.82

Safety of [ 6404-28-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6404-28-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 6404-28-0 ]

[ 6404-28-0 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 37553-65-4 ]
  • [ 73821-95-1 ]
  • [ 6404-28-0 ]
  • [ 47355-10-2 ]
  • BocGlyOH, BocTyr(OdiClBzl)OH [ No CAS ]
  • [ 141611-94-1 ]
  • 2
  • [ 13734-34-4 ]
  • [ 73821-95-1 ]
  • [ 6404-28-0 ]
  • [ 47355-10-2 ]
  • BocSarOH, BocTyr(OdiClBzl)OH [ No CAS ]
  • [ 141611-98-5 ]
  • 3
  • [ 13734-34-4 ]
  • [ 6404-28-0 ]
  • [ 47355-10-2 ]
  • [ 155567-90-1 ]
  • BocGlyOH, BocTyr(OdiClBzl)OH, BocAsp(OcHx)OH [ No CAS ]
  • [ 141611-95-2 ]
  • 4
  • [ 13734-34-4 ]
  • [ 73821-95-1 ]
  • [ 6404-28-0 ]
  • [ 47355-10-2 ]
  • BocProOH, Boc(N-Me)Tyr(OdiClBzl)OH [ No CAS ]
  • [ 141612-00-2 ]
  • 5
  • [ 13734-34-4 ]
  • [ 73821-95-1 ]
  • [ 6404-28-0 ]
  • [ 47355-10-2 ]
  • BocProOH, BocTyr(OdiClBzl)OH [ No CAS ]
  • [ 141611-99-6 ]
  • 6
  • [ 88463-18-7 ]
  • [ 6404-28-0 ]
  • [ 13139-14-5 ]
  • [ 40350-83-2 ]
  • Boc-Gly-OH, (des-NH2)Tyr [ No CAS ]
  • (2S,4R)-4-Benzyloxy-1-{(S)-2-[(S)-2-(2-{(S)-2-[3-(4-hydroxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoyl}-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-phenyl-ethyl)-amide [ No CAS ]
  • 7
  • [ 13734-41-3 ]
  • [ 13139-15-6 ]
  • [ 15761-38-3 ]
  • [ 3744-87-4 ]
  • [ 15260-10-3 ]
  • [ 13836-37-8 ]
  • C106H157ClN19O23PolS [ No CAS ]
  • [ 73821-95-1 ]
  • [ 18942-49-9 ]
  • [ 73821-97-3 ]
  • [ 6404-28-0 ]
  • [ 108-24-7 ]
  • [ 55260-24-7 ]
  • Boc-CαMeLeu-OH [ No CAS ]
  • [ 25024-53-7 ]
  • cyclo(30?33)[D-Phe12, Nle21,38,D-Ala27,40,Glu30,Lys33]-acetyl-{human/rat corticotropin releasing factor}(9?41) [ No CAS ]
  • 8
  • [ 13734-41-3 ]
  • [ 13139-15-6 ]
  • [ 15761-38-3 ]
  • [ 15260-10-3 ]
  • [ 13836-37-8 ]
  • C106H157ClN19O23PolS [ No CAS ]
  • [ 73821-95-1 ]
  • [ 18942-49-9 ]
  • [ 73821-97-3 ]
  • [ 6404-28-0 ]
  • [ 108-24-7 ]
  • [ 55260-24-7 ]
  • Boc-CαMeLeu-OH [ No CAS ]
  • [ 25024-53-7 ]
  • cyclo(30?33)[D-Phe12, Nle21,38,CαMeLeu27,32,40,Glu30,Lys33]-acetyl-{human/rat corticotropin releasing factor}(9?41) [ No CAS ]
  • 9
  • [ 13734-41-3 ]
  • [ 13139-15-6 ]
  • [ 15761-38-3 ]
  • [ 15260-10-3 ]
  • [ 13836-37-8 ]
  • C106H157ClN19O23PolS [ No CAS ]
  • [ 73821-95-1 ]
  • [ 18942-49-9 ]
  • [ 73821-97-3 ]
  • [ 6404-28-0 ]
  • [ 108-24-7 ]
  • [ 55260-24-7 ]
  • Boc-CαMeLeu-OH [ No CAS ]
  • [ 25024-53-7 ]
  • cyclo(30?33)[D-Phe12, Nle21,38,CαMeLeu27,40,D-CαMe32,Glu30,Lys33]-acetyl-{human/rat corticotropin releasing factor}(9?41) [ No CAS ]
  • 10
  • [ 13734-41-3 ]
  • [ 13139-15-6 ]
  • [ 15761-38-3 ]
  • [ 3744-87-4 ]
  • [ 15260-10-3 ]
  • [ 13836-37-8 ]
  • C100H145ClN19O23PolS [ No CAS ]
  • [ 73821-95-1 ]
  • [ 18942-49-9 ]
  • [ 73821-97-3 ]
  • [ 6404-28-0 ]
  • [ 108-24-7 ]
  • [ 55260-24-7 ]
  • Boc-CαMeLeu-OH [ No CAS ]
  • [ 25024-53-7 ]
  • cyclo(30?33)[D-Phe12, Nle21,38,D-Ala27,40,Aib32,Glu30,Lys33]-acetyl-{human/rat corticotropin releasing factor}(9?41) [ No CAS ]
  • 11
  • [ 13734-41-3 ]
  • [ 13139-15-6 ]
  • [ 15761-38-3 ]
  • [ 3744-87-4 ]
  • [ 15260-10-3 ]
  • [ 13836-37-8 ]
  • C106H149ClN19O23PolS [ No CAS ]
  • [ 73821-95-1 ]
  • [ 18942-49-9 ]
  • [ 73821-97-3 ]
  • [ 6404-28-0 ]
  • [ 108-24-7 ]
  • [ 53940-88-8 ]
  • [ 55260-24-7 ]
  • Boc-CαMeLeu-OH [ No CAS ]
  • [ 25024-53-7 ]
  • cyclo(30?33)[D-Phe12, Nle21,38,CαMePhe27,40,Aib32,Glu30,Lys33]-acetyl-{human/rat corticotropin releasing factor}(9?41) [ No CAS ]
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