Asocainol
TL;DR: Asocainol (CAS 77400-65-8) is a chemical compound with molecular formula C27H31NO3 and molecular weight 417.23 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
Also Known As: Asocainol, Asocainolum, Asocainol-d5, asocainol[inn], Asocainol [INN]
| Molecular Formula | C27H31NO3 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.2304 |
| Heavy Atoms | 31 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 77400-65-8 |
|---|---|
| SMILES | CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CCC4=CC=CC=C4)C=CC(=C3O)OC |
| InChIKey | IORHSKBXWWSQME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Asocainol (CAS 77400-65-8), with molecular formula C27H31NO3 and molecular weight 417.23 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.
Chemical Property Profile of Asocainol
Property Insights of Asocainol
The XLogP value of 5.8 indicates that Asocainol 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Asocainol has 1 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?
The CAS number of Asocainol is 77400-65-8.
What is the molecular formula of Asocainol?
The molecular formula of Asocainol is C27H31NO3.
What is the molecular weight of Asocainol?
The molecular weight of Asocainol is 417.23 g/mol.
Where can I buy Asocainol?
You can request a quote for Asocainol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asocainol?
Yes, KEHONG BIO provides custom synthesis services for Asocainol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.