alpha-Chloromethylhistidine
TL;DR: alpha-Chloromethylhistidine (CAS 70470-95-0) is a chemical compound with molecular formula C7H10ClN3O2 and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-2-(chloromethyl)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: alpha-Chloromethylhistidine, alpha-chloromethyl histidine, A-(chloromethyl)-l-histidine, alpha-(Chloromethyl)histidine, Histidine, alpha-(chloromethyl)-
| Molecular Formula | C7H10ClN3O2 |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.04616 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 70470-95-0 |
|---|---|
| SMILES | C1=C(NC=N1)C[C@@](CCl)(C(=O)O)N |
| InChIKey | HLKHGMWYAADBPJ-SSDOTTSWSA-N |
Product Overview
alpha-Chloromethylhistidine (CAS 70470-95-0), with molecular formula C7H10ClN3O2 and molecular weight 203.05 g/mol. IUPAC: (2S)-2-amino-2-(chloromethyl)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of alpha-Chloromethylhistidine
Property Insights of alpha-Chloromethylhistidine
The XLogP value of -2.8 indicates that alpha-Chloromethylhistidine 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 alpha-Chloromethylhistidine. Following Lipinski's Rule of Five, alpha-Chloromethylhistidine 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 alpha-Chloromethylhistidine?
The CAS number of alpha-Chloromethylhistidine is 70470-95-0.
What is the molecular formula of alpha-Chloromethylhistidine?
The molecular formula of alpha-Chloromethylhistidine is C7H10ClN3O2.
What is the molecular weight of alpha-Chloromethylhistidine?
The molecular weight of alpha-Chloromethylhistidine is 203.05 g/mol.
Where can I buy alpha-Chloromethylhistidine?
You can request a quote for alpha-Chloromethylhistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Chloromethylhistidine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Chloromethylhistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.