16-Epikopsinine
TL;DR: 16-Epikopsinine (CAS 28161-78-6) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Also Known As: 3-Isokopsinine, 16-epikopsinine, (2alpha,3alpha,5alpha)-Aspidofractinine-3-carboxylic acid methyl ester, methyl (1R,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate, (5alpha,12R,19alpha)-2,21-Cycloaspidospermidine-3alpha-carboxylic acid methyl ester
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 2.9299 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 778.9145 |
Chemical Identifiers
| CAS Number | 28161-78-6 |
|---|---|
| SMILES | COC(=O)[C@H]1C[C@]23CCCN4[C@@H]2[C@@]5([C@]1(CC3)NC6=CC=CC=C65)CC4 |
Product Overview
16-Epikopsinine (CAS 28161-78-6), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: methyl (1R,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate.
Chemical Property Profile of 16-Epikopsinine
Property Insights of 16-Epikopsinine
The XLogP value of 2.9299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Epikopsinine. With a topological polar surface area (TPSA) of 41.57 Ų, 16-Epikopsinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Epikopsinine has 1 hydrogen bond donor(s) and 4 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 16-Epikopsinine?
The CAS number of 16-Epikopsinine is 28161-78-6.
What is the molecular formula of 16-Epikopsinine?
The molecular formula of 16-Epikopsinine is C21H26N2O2.
What is the molecular weight of 16-Epikopsinine?
The molecular weight of 16-Epikopsinine is 338.20 g/mol.
Where can I buy 16-Epikopsinine?
You can request a quote for 16-Epikopsinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Epikopsinine?
Yes, KEHONG BIO provides custom synthesis services for 16-Epikopsinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.