Alanyl-beta-chloroalanine
TL;DR: Alanyl-beta-chloroalanine (CAS 76572-09-3) is a chemical compound with molecular formula C6H11ClN2O3 and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2S)-2-amino-3-chloropropanoyl]amino]propanoic acid
Also Known As: diACA, Alanyl-beta-chloroalanine, 3-Chloro-D-alanyl-D-alanine, D-Alanine, N-(3-chloro-D-alanyl)-, (2R)-2-[[(2S)-2-amino-3-chloropropanoyl]amino]propanoic acid
| Molecular Formula | C6H11ClN2O3 |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.04582 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 76572-09-3 |
|---|---|
| SMILES | C[C@H](C(=O)O)NC(=O)[C@@H](CCl)N |
| InChIKey | UNSCRPPDIORSTJ-QWWZWVQMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alanyl-beta-chloroalanine (CAS 76572-09-3), with molecular formula C6H11ClN2O3 and molecular weight 194.05 g/mol. IUPAC: (2R)-2-[[(2S)-2-amino-3-chloropropanoyl]amino]propanoic acid.
Chemical Property Profile of Alanyl-beta-chloroalanine
Property Insights of Alanyl-beta-chloroalanine
The XLogP value of -3.0 indicates that Alanyl-beta-chloroalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanyl-beta-chloroalanine. Following Lipinski's Rule of Five, Alanyl-beta-chloroalanine 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 Alanyl-beta-chloroalanine?
The CAS number of Alanyl-beta-chloroalanine is 76572-09-3.
What is the molecular formula of Alanyl-beta-chloroalanine?
The molecular formula of Alanyl-beta-chloroalanine is C6H11ClN2O3.
What is the molecular weight of Alanyl-beta-chloroalanine?
The molecular weight of Alanyl-beta-chloroalanine is 194.05 g/mol.
Where can I buy Alanyl-beta-chloroalanine?
You can request a quote for Alanyl-beta-chloroalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanyl-beta-chloroalanine?
Yes, KEHONG BIO provides custom synthesis services for Alanyl-beta-chloroalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.