Alternatived Products of [ 6404-28-0 ]
Product Details of [ 6404-28-0 ]
CAS No. : 6404-28-0
MDL No. : MFCD00037270
Formula :
C11 H21 NO4
Boiling Point :
No data available
Linear Structure Formula : C5 H9 O2 NHCH(CO2 H)C4 H9
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
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 ]
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 ]
C106 H157 ClN19 O23 PolS
[ No CAS ]
[ 73821-95-1 ]
[ 18942-49-9 ]
[ 73821-97-3 ]
[ 6404-28-0 ]
[ 108-24-7 ]
[ 55260-24-7 ]
Boc-Cα MeLeu-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 ]
C106 H157 ClN19 O23 PolS
[ No CAS ]
[ 73821-95-1 ]
[ 18942-49-9 ]
[ 73821-97-3 ]
[ 6404-28-0 ]
[ 108-24-7 ]
[ 55260-24-7 ]
Boc-Cα MeLeu-OH
[ No CAS ]
[ 25024-53-7 ]
cyclo(30?33)[D-Phe12 , Nle21,38 ,Cα MeLeu27,32,40 ,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 ]
C106 H157 ClN19 O23 PolS
[ No CAS ]
[ 73821-95-1 ]
[ 18942-49-9 ]
[ 73821-97-3 ]
[ 6404-28-0 ]
[ 108-24-7 ]
[ 55260-24-7 ]
Boc-Cα MeLeu-OH
[ No CAS ]
[ 25024-53-7 ]
cyclo(30?33)[D-Phe12 , Nle21,38 ,Cα MeLeu27,40 ,D-Cα Me32 ,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 ]
C100 H145 ClN19 O23 PolS
[ No CAS ]
[ 73821-95-1 ]
[ 18942-49-9 ]
[ 73821-97-3 ]
[ 6404-28-0 ]
[ 108-24-7 ]
[ 55260-24-7 ]
Boc-Cα MeLeu-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 ]
C106 H149 ClN19 O23 PolS
[ No CAS ]
[ 73821-95-1 ]
[ 18942-49-9 ]
[ 73821-97-3 ]
[ 6404-28-0 ]
[ 108-24-7 ]
[ 53940-88-8 ]
[ 55260-24-7 ]
Boc-Cα MeLeu-OH
[ No CAS ]
[ 25024-53-7 ]
cyclo(30?33)[D-Phe12 , Nle21,38 ,Cα MePhe27,40 ,Aib32 ,Glu30 ,Lys33 ]-acetyl-{human/rat corticotropin releasing factor}(9?41)
[ No CAS ]