beta-Chloroalanyl-beta-chloroalanine
TL;DR: beta-Chloroalanyl-beta-chloroalanine (CAS 87205-45-6) is a chemical compound with molecular formula C6H10Cl2N2O3 and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2R)-2-amino-3-chloropropanoyl]amino]-3-chloropropanoic acid
Also Known As: 3-Cl-Ala-3-Cl-ala, beta-Chloroalanyl-beta-chloroalanine, 3-Chloroalanyl-3-chloroalanine, 3-Chloro-L-alanyl-3-chloro-L-alanine, (2R)-2-[[(2R)-2-amino-3-chloropropanoyl]amino]-3-chloropropanoic acid
| Molecular Formula | C6H10Cl2N2O3 |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.00685 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 87205-45-6 |
|---|---|
| SMILES | C([C@@H](C(=O)N[C@@H](CCl)C(=O)O)N)Cl |
| InChIKey | VFVOOLWBPFEFKL-IMJSIDKUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Chloroalanyl-beta-chloroalanine (CAS 87205-45-6), with molecular formula C6H10Cl2N2O3 and molecular weight 228.01 g/mol. IUPAC: (2R)-2-[[(2R)-2-amino-3-chloropropanoyl]amino]-3-chloropropanoic acid.
Chemical Property Profile of beta-Chloroalanyl-beta-chloroalanine
Property Insights of beta-Chloroalanyl-beta-chloroalanine
The XLogP value of -2.8 indicates that beta-Chloroalanyl-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 beta-Chloroalanyl-beta-chloroalanine. Following Lipinski's Rule of Five, beta-Chloroalanyl-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 beta-Chloroalanyl-beta-chloroalanine?
The CAS number of beta-Chloroalanyl-beta-chloroalanine is 87205-45-6.
What is the molecular formula of beta-Chloroalanyl-beta-chloroalanine?
The molecular formula of beta-Chloroalanyl-beta-chloroalanine is C6H10Cl2N2O3.
What is the molecular weight of beta-Chloroalanyl-beta-chloroalanine?
The molecular weight of beta-Chloroalanyl-beta-chloroalanine is 228.01 g/mol.
Where can I buy beta-Chloroalanyl-beta-chloroalanine?
You can request a quote for beta-Chloroalanyl-beta-chloroalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Chloroalanyl-beta-chloroalanine?
Yes, KEHONG BIO provides custom synthesis services for beta-Chloroalanyl-beta-chloroalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.