Kopsoffinol
TL;DR: Kopsoffinol (CAS 96935-25-0) is a chemical compound with molecular formula C40H48N4O3 and molecular weight 632.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[15-(1-hydroxyethyl)-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: Kopsoffinol, ( )-Kopsoffinol, (+)-Kopsoffinol, methyl 6-[15-(1-hydroxyethyl)-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, Methyl 15-(20-hydroxy-14,15-dihydroeburnamenin-14-yl)aspidofractinine-21-carboxylate
| Molecular Formula | C40H48N4O3 |
|---|---|
| Molecular Weight | 632.37 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 632.3726 |
| Heavy Atoms | 47 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 96935-25-0 |
|---|---|
| SMILES | CC(C12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)C6=CC7=C(C=C6)NC89C71CCN2C1C(CCC2)(CC8)CC9C(=O)OC)O |
| InChIKey | NKQJSTGACVZXMS-UHFFFAOYSA-N |
Product Overview
Kopsoffinol (CAS 96935-25-0), with molecular formula C40H48N4O3 and molecular weight 632.37 g/mol. IUPAC: methyl 6-[15-(1-hydroxyethyl)-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 Kopsoffinol
Property Insights of Kopsoffinol
The XLogP value of 5.1 indicates that Kopsoffinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kopsoffinol. Following Lipinski's Rule of Five, Kopsoffinol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kopsoffinol?
The CAS number of Kopsoffinol is 96935-25-0.
What is the molecular formula of Kopsoffinol?
The molecular formula of Kopsoffinol is C40H48N4O3.
What is the molecular weight of Kopsoffinol?
The molecular weight of Kopsoffinol is 632.37 g/mol.
Where can I buy Kopsoffinol?
You can request a quote for Kopsoffinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kopsoffinol?
Yes, KEHONG BIO provides custom synthesis services for Kopsoffinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.