s-a-Chloromethylhistamine
TL;DR: s-a-Chloromethylhistamine (CAS 80714-55-2) is a chemical compound with molecular formula C6H10ClN3 and molecular weight 159.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-chloro-3-(1H-imidazol-5-yl)propan-2-amine
Also Known As: s-a-chloromethylhistamine, (2S)-1-chloro-3-(1H-imidazol-5-yl)propan-2-amine, R(-)-a-Chloromethyl Histamine Dihydrochloride, r(-)-alpha-Chloromethyl histamine dihydrochloride, R(-)-
| Molecular Formula | C6H10ClN3 |
|---|---|
| Molecular Weight | 159.06 g/mol |
| LogP | 0.5183 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.05632 |
| Heavy Atoms | 10 |
| Complexity | 173.12843 |
Chemical Identifiers
| CAS Number | 80714-55-2 |
|---|---|
| SMILES | C1=C(NC=N1)C[C@@H](CCl)N |
Product Overview
s-a-Chloromethylhistamine (CAS 80714-55-2), with molecular formula C6H10ClN3 and molecular weight 159.06 g/mol. IUPAC: (2S)-1-chloro-3-(1H-imidazol-5-yl)propan-2-amine.
Chemical Property Profile of s-a-Chloromethylhistamine
Property Insights of s-a-Chloromethylhistamine
The XLogP value of 0.5183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-a-Chloromethylhistamine. With a topological polar surface area (TPSA) of 54.7 Ų, s-a-Chloromethylhistamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-a-Chloromethylhistamine has 2 hydrogen bond donor(s) and 2 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 s-a-Chloromethylhistamine?
The CAS number of s-a-Chloromethylhistamine is 80714-55-2.
What is the molecular formula of s-a-Chloromethylhistamine?
The molecular formula of s-a-Chloromethylhistamine is C6H10ClN3.
What is the molecular weight of s-a-Chloromethylhistamine?
The molecular weight of s-a-Chloromethylhistamine is 159.06 g/mol.
Where can I buy s-a-Chloromethylhistamine?
You can request a quote for s-a-Chloromethylhistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-a-Chloromethylhistamine?
Yes, KEHONG BIO provides custom synthesis services for s-a-Chloromethylhistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.