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[ CAS No. 38675-10-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 38675-10-4
Chemical Structure| 38675-10-4
Structure of 38675-10-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 38675-10-4 ]

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Product Details of [ 38675-10-4 ]

CAS No. :38675-10-4 MDL No. :MFCD00237546
Formula : C19H26N2O5 Boiling Point : -
Linear Structure Formula :- InChI Key :ZPRHVPHDENDZTP-CABCVRRESA-N
M.W : 362.42 Pubchem ID :1797945
Synonyms :

Calculated chemistry of [ 38675-10-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.53
Num. rotatable bonds : 9
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 100.27
TPSA : 95.94 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.35
Log Po/w (XLOGP3) : 2.56
Log Po/w (WLOGP) : 1.82
Log Po/w (MLOGP) : 1.5
Log Po/w (SILICOS-IT) : 1.66
Consensus Log Po/w : 1.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.28
Solubility : 0.192 mg/ml ; 0.000529 mol/l
Class : Soluble
Log S (Ali) : -4.22
Solubility : 0.0217 mg/ml ; 0.0000599 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.29
Solubility : 0.185 mg/ml ; 0.000512 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.5

Safety of [ 38675-10-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 38675-10-4 ]

* 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 [ 38675-10-4 ]

[ 38675-10-4 ] Synthesis Path-Downstream   1~20

  • 1
  • [ 38675-10-4 ]
  • diphenyl 1-amino-2-(4-cyanophenyl)ethanephosphonate hydrobromide [ No CAS ]
  • diphenyl 1-<<N-(tert-butyloxycarbonyl)-D-phenylalanyl-L-prolyl>amino>-2-(4-cyanophenyl)ethanephosphonate [ No CAS ]
  • 2
  • [ 38675-10-4 ]
  • diphenyl 1-amino-2-(4-amidinophenyl)ethanephosphonate dihydrochloride [ No CAS ]
  • [ 198902-77-1 ]
  • 3
  • [ 64471-88-1 ]
  • [ 38675-10-4 ]
  • 4
  • [ 38675-10-4 ]
  • [ 70-11-1 ]
  • [ 139740-97-9 ]
  • 5
  • [ 38675-10-4 ]
  • [ 543-27-1 ]
  • C24H34N2O7 [ No CAS ]
  • 6
  • [ 38675-10-4 ]
  • [4-((1S,2R)-1-Amino-2-hydroxy-2-methylcarbamoyl-ethyl)-cyclohexyl]-carbamic acid tert-butyl ester [ No CAS ]
  • {4-[1-({(S)-1-[(R)-2-(tert-Butoxycarbonyl-methyl-amino)-3-phenyl-propionyl]-pyrrolidine-2-carbonyl}-amino)-2-hydroxy-2-methylcarbamoyl-ethyl]-cyclohexyl}-carbamic acid tert-butyl ester [ No CAS ]
  • 7
  • [ 38675-10-4 ]
  • 4‐(2‐aminoethyl)benzonitrile hydrochloride [ No CAS ]
  • [ 183595-83-7 ]
  • 8
  • [ 38675-10-4 ]
  • 3-(2-aminoethyl)benzonitrile hydrochloride [ No CAS ]
  • ((R)-1-Benzyl-2-{(S)-2-[2-(3-cyano-phenyl)-ethylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethyl)-carbamic acid tert-butyl ester [ No CAS ]
  • 9
  • [ 38675-10-4 ]
  • 3-Aminomethyl-benzonitrile; compound with trifluoro-acetic acid [ No CAS ]
  • {(R)-1-Benzyl-2-[(S)-2-(3-cyano-benzylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester [ No CAS ]
  • 10
  • [ 38675-10-4 ]
  • 4-(aminomethyl)benzonitrile trifluoroacetate salt [ No CAS ]
  • [ 172348-68-4 ]
  • 11
  • [ 38675-10-4 ]
  • 2-[(2-amino-6-benzyloxycarbonylamino-hexyl)-<i>tert</i>-butoxycarbonyl-amino]-thiazole-4-carboxylic acid ethyl ester [ No CAS ]
  • 2-[(6-benzyloxycarbonylamino-2-[1-(2-<i>tert</i>-butoxycarbonylamino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-hexyl)-<i>tert</i>-butoxycarbonyl-amino]-thiazole-4-carboxylic acid ethyl ester [ No CAS ]
  • 12
  • [ 38675-10-4 ]
  • [ 2450-71-7 ]
  • N-Boc-D-Phe-Pro-NHCH2CCH [ No CAS ]
  • 13
  • [ 5036-48-6 ]
  • [ 38675-10-4 ]
  • {(R)-1-Benzyl-2-[(S)-2-(3-imidazol-1-yl-propylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester [ No CAS ]
  • 15
  • [ 38675-10-4 ]
  • [ 128009-23-4 ]
  • C34H54N6O8 [ No CAS ]
  • 16
  • [ 38675-10-4 ]
  • [ 162167-83-1 ]
  • [ 162167-93-3 ]
  • 17
  • [ 38675-10-4 ]
  • [ 185744-62-1 ]
  • [ 185744-63-2 ]
  • 18
  • [ 38675-10-4 ]
  • [ 740067-13-4 ]
  • [ 474081-24-8 ]
  • 19
  • [ 38675-10-4 ]
  • H-Lys(Cbz)-(2-thiazolyl)*TFA [ No CAS ]
  • Boc-D-Phe-Pro-Lys(Cbz)-(2-thiazolyl) [ No CAS ]
  • 20
  • [ 38675-10-4 ]
  • C23H33N5O4S2*C2HF3O2 [ No CAS ]
  • C42H57N7O8S2 [ No CAS ]
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