Vinervine
TL;DR: Vinervine (CAS 1963-86-6) 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 (1R,11S,12E,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Also Known As: Vinervine, (-)-Vinervine, 12-Hydroxyakuammicine, BAS 03603260, Curan-17-oic acid, 2,16,19,20-tetradehydro-12-hydroxy-, methyl ester, (19E)-
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 2.5367 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 856.49725 |
Chemical Identifiers
| CAS Number | 1963-86-6 |
|---|---|
| SMILES | C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=CC=C5O)C(=O)OC |
Product Overview
Vinervine (CAS 1963-86-6), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: methyl (1R,11S,12E,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate.
Chemical Property Profile of Vinervine
Property Insights of Vinervine
The XLogP value of 2.5367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinervine. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Vinervine. Following Lipinski's Rule of Five, Vinervine 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 Vinervine?
The CAS number of Vinervine is 1963-86-6.
What is the molecular formula of Vinervine?
The molecular formula of Vinervine is C20H22N2O3.
What is the molecular weight of Vinervine?
The molecular weight of Vinervine is 338.16 g/mol.
Where can I buy Vinervine?
You can request a quote for Vinervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinervine?
Yes, KEHONG BIO provides custom synthesis services for Vinervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.