Isovincamine
TL;DR: Isovincamine (CAS 1617-90-9) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Also Known As: vincamine, Epivincamine, Vinca, Isovincamine, 14-Epivincamine
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 1617-90-9 |
|---|---|
| SMILES | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O |
| InChIKey | RXPRRQLKFXBCSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isovincamine (CAS 1617-90-9), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl 15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate.
Chemical Property Profile of Isovincamine
Property Insights of Isovincamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovincamine. With a topological polar surface area (TPSA) of 54.7 Ų, Isovincamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovincamine has 1 hydrogen bond donor(s) and 4 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 Isovincamine?
The CAS number of Isovincamine is 1617-90-9.
What is the molecular formula of Isovincamine?
The molecular formula of Isovincamine is C21H26N2O3.
What is the molecular weight of Isovincamine?
The molecular weight of Isovincamine is 354.19 g/mol.
Where can I buy Isovincamine?
You can request a quote for Isovincamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovincamine?
Yes, KEHONG BIO provides custom synthesis services for Isovincamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.