4-Chlorokynurenine
TL;DR: 4-Chlorokynurenine (CAS 75802-84-5) 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.
(2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
Also Known As: 4-Chlorokynurenine, (S)-4-Chlorokynurenine, L-4-chlorokynurenine, Kynurenine Impurity 5, 4-Chloro-L-kynurenine
| Molecular Formula | C10H11ClN2O3 |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 0.9069 |
| Topological Polar Surface Area | 106.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.04582 |
| Heavy Atoms | 16 |
| Complexity | 434.07236 |
Chemical Identifiers
| CAS Number | 75802-84-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)C(=O)C[C@@H](C(=O)O)N |
Product Overview
4-Chlorokynurenine (CAS 75802-84-5), with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol. IUPAC: (2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-Chlorokynurenine
Property Insights of 4-Chlorokynurenine
The XLogP value of 0.9069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorokynurenine. The TPSA of 106.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorokynurenine. Following Lipinski's Rule of Five, 4-Chlorokynurenine has 3 hydrogen bond donor(s) and 4 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 4-Chlorokynurenine?
The CAS number of 4-Chlorokynurenine is 75802-84-5.
What is the molecular formula of 4-Chlorokynurenine?
The molecular formula of 4-Chlorokynurenine is C10H11ClN2O3.
What is the molecular weight of 4-Chlorokynurenine?
The molecular weight of 4-Chlorokynurenine is 242.05 g/mol.
Where can I buy 4-Chlorokynurenine?
You can request a quote for 4-Chlorokynurenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorokynurenine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorokynurenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.