CAS RN: 256657-23-5
ABZ-GLY-OH HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260521 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS256657-23-5
- Purity/Analytical Methods: >99.0%
256657-23-5 / 2-[(2-aminobenzoyl)amino]acetic acid;hydrochloride
Basic Information
CAS
256657-23-5
Multi CAS
No
Molecular Formula
C9H11ClN2O3
Molecular Weight
230.650000
Exact Mass
230.045820
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)N.Cl
InChI
InChI=1S/C9H10N2O3.ClH/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);1H
InChIKey
QCVSZXHFZFRVOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
58.07
TPSA
92.42
LogP / Solubility
WLOGP
0.5
MLOGP
0.45
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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