2-Chlorohistidine
TL;DR: 2-Chlorohistidine (CAS 126663-37-4) is a chemical compound with molecular formula C6H8ClN3O2 and molecular weight 189.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(2-chloro-1H-imidazol-5-yl)propanoic acid
Also Known As: 2-Chlorohistidine, 2-Chloro-L-histidine, Montelukast Sulfone, L-Histidine, 2-chloro-, (2S)-2-amino-3-(2-chloro-1H-imidazol-5-yl)propanoic acid
| Molecular Formula | C6H8ClN3O2 |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.0305 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 126663-37-4 |
|---|---|
| SMILES | C1=C(NC(=N1)Cl)C[C@@H](C(=O)O)N |
| InChIKey | RJHXBCPMXIGGCP-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorohistidine (CAS 126663-37-4), with molecular formula C6H8ClN3O2 and molecular weight 189.03 g/mol. IUPAC: (2S)-2-amino-3-(2-chloro-1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of 2-Chlorohistidine
Property Insights of 2-Chlorohistidine
The XLogP value of -2.3 indicates that 2-Chlorohistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chlorohistidine. Following Lipinski's Rule of Five, 2-Chlorohistidine 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 2-Chlorohistidine?
The CAS number of 2-Chlorohistidine is 126663-37-4.
What is the molecular formula of 2-Chlorohistidine?
The molecular formula of 2-Chlorohistidine is C6H8ClN3O2.
What is the molecular weight of 2-Chlorohistidine?
The molecular weight of 2-Chlorohistidine is 189.03 g/mol.
Where can I buy 2-Chlorohistidine?
You can request a quote for 2-Chlorohistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorohistidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorohistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.