Octaverine Hydrochloride
TL;DR: Octaverine Hydrochloride (CAS 6775-26-4) is a chemical compound with molecular formula C23H28ClNO5 and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline;hydrochloride
Also Known As: Octaverine hydrochloride, Octaverine HCl, Gastrolena, octaverinehydrochloride, Octaverine, hydrochloride
| Molecular Formula | C23H28ClNO5 |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | 5.54 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.1656 |
| Heavy Atoms | 30 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 6775-26-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C2=NC=CC3=CC(=C(C=C32)OC)OC.Cl |
| InChIKey | PWPKPIKBAPBKRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octaverine Hydrochloride (CAS 6775-26-4), with molecular formula C23H28ClNO5 and molecular weight 433.17 g/mol. IUPAC: 6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline;hydrochloride.
Chemical Property Profile of Octaverine Hydrochloride
Property Insights of Octaverine Hydrochloride
The XLogP value of 5.54 indicates that Octaverine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Octaverine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octaverine Hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octaverine Hydrochloride?
The CAS number of Octaverine Hydrochloride is 6775-26-4.
What is the molecular formula of Octaverine Hydrochloride?
The molecular formula of Octaverine Hydrochloride is C23H28ClNO5.
What is the molecular weight of Octaverine Hydrochloride?
The molecular weight of Octaverine Hydrochloride is 433.17 g/mol.
Where can I buy Octaverine Hydrochloride?
You can request a quote for Octaverine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octaverine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Octaverine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.