alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid
TL;DR: alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid (CAS 175777-22-7) is a chemical compound with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
Also Known As: 4-Chlorokynurenine, 4-Chloro Kynurenine, 4-Cl-KYN, L-4-chlorokynurenine, 4-Chloro-DL-kynurenine
| Molecular Formula | C10H11ClN2O3 |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.04582 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 175777-22-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)C(=O)CC(C(=O)O)N |
| InChIKey | HQLHZNDJQSRKDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid (CAS 175777-22-7), with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol. IUPAC: 2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid
Property Insights of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid
The XLogP value of -1.6 indicates that alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid. Following Lipinski's Rule of Five, alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid?
The CAS number of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid is 175777-22-7.
What is the molecular formula of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid?
The molecular formula of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid is C10H11ClN2O3.
What is the molecular weight of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid?
The molecular weight of alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid is 242.05 g/mol.
Where can I buy alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid?
You can request a quote for alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.