Atisine, hydrochloride
TL;DR: Atisine, hydrochloride (CAS 4758-99-0) is a chemical compound with molecular formula C22H34ClNO2 and molecular weight 379.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6R,7S,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azoniapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-en-6-ol chloride
Also Known As: Atisinium chloride, Atisine hydochloride, Atisine, hydrochloride, KST-1A5130, (15
| Molecular Formula | C22H34ClNO2 |
|---|---|
| Molecular Weight | 379.23 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 43.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.2278 |
| Heavy Atoms | 26 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 4758-99-0 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC(CC4)C(=C)[C@H]5O)C=[N+](C2)CCO.[Cl-] |
| InChIKey | CTQGDDPQMCXQJW-WIXUTIBFSA-M |
Product Overview
Atisine, hydrochloride (CAS 4758-99-0), with molecular formula C22H34ClNO2 and molecular weight 379.23 g/mol. IUPAC: (1S,2S,6R,7S,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azoniapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-en-6-ol chloride.
Chemical Property Profile of Atisine, hydrochloride
Property Insights of Atisine, hydrochloride
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atisine, hydrochloride. With a topological polar surface area (TPSA) of 43.5 Ų, Atisine, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atisine, hydrochloride has 2 hydrogen bond donor(s) and 3 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 Atisine, hydrochloride?
The CAS number of Atisine, hydrochloride is 4758-99-0.
What is the molecular formula of Atisine, hydrochloride?
The molecular formula of Atisine, hydrochloride is C22H34ClNO2.
What is the molecular weight of Atisine, hydrochloride?
The molecular weight of Atisine, hydrochloride is 379.23 g/mol.
Where can I buy Atisine, hydrochloride?
You can request a quote for Atisine, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atisine, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Atisine, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.