Ethyl apovincaminate
TL;DR: Ethyl apovincaminate (CAS 42971-12-0) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (15R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
Also Known As: Ethyl apovincaminate, vinpocetine, Cavinton, Kavinton, (-)-Ethyl apovincaminate
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 42971-12-0 |
|---|---|
| SMILES | CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC |
| InChIKey | DDNCQMVWWZOMLN-RBBKRZOGSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl apovincaminate (CAS 42971-12-0), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: ethyl (15R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate.
Chemical Property Profile of Ethyl apovincaminate
Property Insights of Ethyl apovincaminate
The XLogP value of 4.1 indicates that Ethyl apovincaminate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Ethyl apovincaminate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl apovincaminate has 0 hydrogen bond donor(s) and 3 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 Ethyl apovincaminate?
The CAS number of Ethyl apovincaminate is 42971-12-0.
What is the molecular formula of Ethyl apovincaminate?
The molecular formula of Ethyl apovincaminate is C22H26N2O2.
What is the molecular weight of Ethyl apovincaminate?
The molecular weight of Ethyl apovincaminate is 350.20 g/mol.
Where can I buy Ethyl apovincaminate?
You can request a quote for Ethyl apovincaminate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl apovincaminate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl apovincaminate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.