Ocoteine
TL;DR: Ocoteine (CAS 73791-37-4) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
Also Known As: Ocoteine, Talicmine, Ocotein, (+)-Thalicmine, (+)-ocoteine
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 73791-37-4 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C5C(=C2OC)OCO5)OC)OC |
| InChIKey | XEZKWYLHAOYOCL-AWEZNQCLSA-N |
Product Overview
Ocoteine (CAS 73791-37-4), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: (12S)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene.
Chemical Property Profile of Ocoteine
Property Insights of Ocoteine
The XLogP value of 3.2 indicates that Ocoteine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, Ocoteine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ocoteine 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 Ocoteine?
The CAS number of Ocoteine is 73791-37-4.
What is the molecular formula of Ocoteine?
The molecular formula of Ocoteine is C21H23NO5.
What is the molecular weight of Ocoteine?
The molecular weight of Ocoteine is 369.16 g/mol.
Where can I buy Ocoteine?
You can request a quote for Ocoteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ocoteine?
Yes, KEHONG BIO provides custom synthesis services for Ocoteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.