CAS RN: 35010-96-9

Z-PRO-GLY-NH2

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  • Product code: starshine_CAS35010-96-9
  • Purity/Analytical Methods: >99.0%
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35010-96-9 / benzyl (2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate

Standard CAS: 35010-96-9 Multi CAS: Yes

Basic Information

CAS
35010-96-9
Multi CAS
Yes
Molecular Formula
C15H19N3O4
Molecular Weight
305.330000
Exact Mass
305.137556
InChI
InChI=1S/C15H19N3O4/c16-13(19)9-17-14(20)12-7-4-8-18(12)15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,16,19)(H,17,20)/t12-/m0/s1
InChIKey
YQHPZEVGWUTGLC-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.56
TPSA
101.73

LogP / Solubility

WLOGP
0.39
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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