Kopsoffine
TL;DR: Kopsoffine (CAS 82529-52-0) is a chemical compound with molecular formula C40H48N4O2 and molecular weight 616.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
Also Known As: Kopsoffine, (-)-Norpleiomutine, ( )-Kopsoffine, (+)-Kopsoffine, 6H,13aH-3a,5a-Ethano-1H-indolizino(8,1-cd)carbazole-5-carboxylic acid,9-((14alpha)-14,15-dihydroeburnamenin-14-yl)-2,3,4,5,11,12-hexahydro-,methyl ester, (3aR,5S,5aR,10bR,13aS)-
| Molecular Formula | C40H48N4O2 |
|---|---|
| Molecular Weight | 616.38 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 616.37775 |
| Heavy Atoms | 46 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 82529-52-0 |
|---|---|
| SMILES | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)C6=CC7=C(C=C6)NC89C71CCN2C1C(CCC2)(CC8)CC9C(=O)OC |
| InChIKey | BIJHVDNGQCIFEQ-UHFFFAOYSA-N |
Product Overview
Kopsoffine (CAS 82529-52-0), with molecular formula C40H48N4O2 and molecular weight 616.38 g/mol. IUPAC: methyl 6-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate.
Chemical Property Profile of Kopsoffine
Property Insights of Kopsoffine
The XLogP value of 6.2 indicates that Kopsoffine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Kopsoffine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kopsoffine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kopsoffine?
The CAS number of Kopsoffine is 82529-52-0.
What is the molecular formula of Kopsoffine?
The molecular formula of Kopsoffine is C40H48N4O2.
What is the molecular weight of Kopsoffine?
The molecular weight of Kopsoffine is 616.38 g/mol.
Where can I buy Kopsoffine?
You can request a quote for Kopsoffine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kopsoffine?
Yes, KEHONG BIO provides custom synthesis services for Kopsoffine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.