16-Epi-voacarpine
TL;DR: 16-Epi-voacarpine (CAS 114027-38-2) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Also Known As: 16-Epi-voacarpine, 16-Epivoacarpine, methyl 15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate, methyl (15Z)-15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0(2),(1)?.0?,?.0(1)(2),(1)?]octadeca-2(10),4,6,8-tetraene-13-carboxylate, methyl (1R,12S,13R,14S,15E)-15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 1.6712 |
| Topological Polar Surface Area | 85.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 979.717 |
Chemical Identifiers
| CAS Number | 114027-38-2 |
|---|---|
| SMILES | CC=C1CN2C3CC4=C(C2(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45 |
Product Overview
16-Epi-voacarpine (CAS 114027-38-2), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: methyl 15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate.
Chemical Property Profile of 16-Epi-voacarpine
Property Insights of 16-Epi-voacarpine
The XLogP value of 1.6712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Epi-voacarpine. The TPSA of 85.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Epi-voacarpine. Following Lipinski's Rule of Five, 16-Epi-voacarpine has 3 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 16-Epi-voacarpine?
The CAS number of 16-Epi-voacarpine is 114027-38-2.
What is the molecular formula of 16-Epi-voacarpine?
The molecular formula of 16-Epi-voacarpine is C21H24N2O4.
What is the molecular weight of 16-Epi-voacarpine?
The molecular weight of 16-Epi-voacarpine is 368.17 g/mol.
Where can I buy 16-Epi-voacarpine?
You can request a quote for 16-Epi-voacarpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Epi-voacarpine?
Yes, KEHONG BIO provides custom synthesis services for 16-Epi-voacarpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.