Vincarin
TL;DR: Vincarin (CAS 4835-69-2) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
Also Known As: Vincarin, (2alpha,17S,19E)-19,20-Didehydro-1-demethyl-17-hydroxyajmalan-16-carboxylic acid methyl ester
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 4835-69-2 |
|---|---|
| SMILES | CC=C1CN2C3CC1C4(C2CC5(C3NC6=CC=CC=C65)C4O)C(=O)OC |
| InChIKey | RLUORQGMBKDXPO-UHFFFAOYSA-N |
Product Overview
Vincarin (CAS 4835-69-2), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl 13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate.
Chemical Property Profile of Vincarin
Property Insights of Vincarin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vincarin. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Vincarin. Following Lipinski's Rule of Five, Vincarin has 2 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 Vincarin?
The CAS number of Vincarin is 4835-69-2.
What is the molecular formula of Vincarin?
The molecular formula of Vincarin is C21H24N2O3.
What is the molecular weight of Vincarin?
The molecular weight of Vincarin is 352.18 g/mol.
Where can I buy Vincarin?
You can request a quote for Vincarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vincarin?
Yes, KEHONG BIO provides custom synthesis services for Vincarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.