CAS RN: 56675-97-9

Z-ASN-GLY-OH

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Batchno.20250628 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS56675-97-9
  • Purity/Analytical Methods: >99.0%
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56675-97-9 / 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetic acid

Standard CAS: 56675-97-9 Multi CAS: Yes

Basic Information

CAS
56675-97-9
Multi CAS
Yes
Molecular Formula
C14H17N3O6
Molecular Weight
323.300000
Exact Mass
323.111735
InChI
InChI=1S/C14H17N3O6/c15-11(18)6-10(13(21)16-7-12(19)20)17-14(22)23-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,15,18)(H,16,21)(H,17,22)(H,19,20)/t10-/m0/s1
InChIKey
AIVHZBIRKPAQGR-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
78.01
TPSA
147.82

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.55
XLogP3
-0.7
Consensus LogP
-0.63
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-5.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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