Picrinine
TL;DR: Picrinine (CAS 4684-32-6) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (14Z)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Also Known As: Picrinine, Picrinine [M+H]+, 2alpha,5alpha-Epoxy-1,2-dihydroakuammilan-17-oic acid methyl ester, Methyl (14Z)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 2.2458 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 835.9851 |
Chemical Identifiers
| CAS Number | 4684-32-6 |
|---|---|
| SMILES | C/C=C/1\CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)C(=O)OC |
Product Overview
Picrinine (CAS 4684-32-6), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: methyl (14Z)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate.
Chemical Property Profile of Picrinine
Property Insights of Picrinine
The XLogP value of 2.2458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picrinine. With a topological polar surface area (TPSA) of 50.8 Ų, Picrinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picrinine has 1 hydrogen bond donor(s) and 5 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 Picrinine?
The CAS number of Picrinine is 4684-32-6.
What is the molecular formula of Picrinine?
The molecular formula of Picrinine is C20H22N2O3.
What is the molecular weight of Picrinine?
The molecular weight of Picrinine is 338.16 g/mol.
Where can I buy Picrinine?
You can request a quote for Picrinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picrinine?
Yes, KEHONG BIO provides custom synthesis services for Picrinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.