Asocainol hydrochloride
TL;DR: Asocainol hydrochloride (CAS 79989-27-8) is a chemical compound with molecular formula C27H32ClNO3 and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol;hydrochloride
Also Known As: Asocainol hydrochloride, Asocainol HCl, (+)-Asocainol hydrochloride, Goe 3764A, Go 3764A
| Molecular Formula | C27H32ClNO3 |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 5.53 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.20706 |
| Heavy Atoms | 32 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 79989-27-8 |
|---|---|
| SMILES | CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CCC4=CC=CC=C4)C=CC(=C3O)OC.Cl |
| InChIKey | JTGDTQLVMHZOHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Asocainol hydrochloride (CAS 79989-27-8), with molecular formula C27H32ClNO3 and molecular weight 453.21 g/mol. IUPAC: 4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol;hydrochloride.
Chemical Property Profile of Asocainol hydrochloride
Property Insights of Asocainol hydrochloride
The XLogP value of 5.53 indicates that Asocainol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Asocainol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Asocainol hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asocainol hydrochloride?
The CAS number of Asocainol hydrochloride is 79989-27-8.
What is the molecular formula of Asocainol hydrochloride?
The molecular formula of Asocainol hydrochloride is C27H32ClNO3.
What is the molecular weight of Asocainol hydrochloride?
The molecular weight of Asocainol hydrochloride is 453.21 g/mol.
Where can I buy Asocainol hydrochloride?
You can request a quote for Asocainol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asocainol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Asocainol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.