Octaverine
TL;DR: Octaverine (CAS 549-68-8) is a chemical compound with molecular formula C23H27NO5 and molecular weight 397.19 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
Also Known As: Octaverine, Oktaverine, Octaverina, Octaverinum, Ottaverina
| Molecular Formula | C23H27NO5 |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.18893 |
| Heavy Atoms | 29 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 549-68-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C2=NC=CC3=CC(=C(C=C32)OC)OC |
| InChIKey | NGIFHAUKQGDVSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octaverine (CAS 549-68-8), with molecular formula C23H27NO5 and molecular weight 397.19 g/mol. IUPAC: 6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline.
Chemical Property Profile of Octaverine
Property Insights of Octaverine
The XLogP value of 4.7 indicates that Octaverine 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octaverine has 0 hydrogen bond donor(s) and 6 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 Octaverine?
The CAS number of Octaverine is 549-68-8.
What is the molecular formula of Octaverine?
The molecular formula of Octaverine is C23H27NO5.
What is the molecular weight of Octaverine?
The molecular weight of Octaverine is 397.19 g/mol.
Where can I buy Octaverine?
You can request a quote for Octaverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octaverine?
Yes, KEHONG BIO provides custom synthesis services for Octaverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.