CAS RN: 34286-66-3

Z-D-ALA-GLY-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34286-66-3
  • Purity/Analytical Methods: >99.0%
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34286-66-3 / 2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetic acid

Standard CAS: 34286-66-3 Multi CAS: Yes

Basic Information

CAS
34286-66-3
Multi CAS
Yes
Molecular Formula
C13H16N2O5
Molecular Weight
280.280000
Exact Mass
280.105922
InChI
InChI=1S/C13H16N2O5/c1-9(12(18)14-7-11(16)17)15-13(19)20-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)(H,15,19)(H,16,17)/t9-/m1/s1
InChIKey
RNBMQRYMCAVZPN-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
69.87
TPSA
104.73

LogP / Solubility

WLOGP
0.5
MLOGP
0.45
XLogP3
0.8
Consensus LogP
0.58
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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