Isostrychnine
TL;DR: Isostrychnine (CAS 467-16-3) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
Also Known As: Isostrychnine, (14Z)-14-(2-Hydroxyethylidene)-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 1.9962 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 857.207 |
Chemical Identifiers
| CAS Number | 467-16-3 |
|---|---|
| SMILES | C1CN2C/C(=C\CO)/C3CC2C14C5C3=CCC(=O)N5C6=CC=CC=C46 |
Product Overview
Isostrychnine (CAS 467-16-3), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: (14Z)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one.
Chemical Property Profile of Isostrychnine
Property Insights of Isostrychnine
The XLogP value of 1.9962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isostrychnine. With a topological polar surface area (TPSA) of 43.78 Ų, Isostrychnine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isostrychnine has 1 hydrogen bond donor(s) and 3 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 Isostrychnine?
The CAS number of Isostrychnine is 467-16-3.
What is the molecular formula of Isostrychnine?
The molecular formula of Isostrychnine is C21H22N2O2.
What is the molecular weight of Isostrychnine?
The molecular weight of Isostrychnine is 334.17 g/mol.
Where can I buy Isostrychnine?
You can request a quote for Isostrychnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isostrychnine?
Yes, KEHONG BIO provides custom synthesis services for Isostrychnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.