Ethyl eburnamenine-14-carboxylate
TL;DR: Ethyl eburnamenine-14-carboxylate (CAS 42971-09-5) 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 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: vinpocetine, Ethyl eburnamenine-14-carboxylate, Ethyl apovincaminate, Vinpocetine Impurity E, Ethyl trans-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 | 42971-09-5 |
|---|---|
| SMILES | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC |
| InChIKey | DDNCQMVWWZOMLN-UHFFFAOYSA-N |
Product Overview
Ethyl eburnamenine-14-carboxylate (CAS 42971-09-5), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: ethyl 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 eburnamenine-14-carboxylate
Property Insights of Ethyl eburnamenine-14-carboxylate
The XLogP value of 4.1 indicates that Ethyl eburnamenine-14-carboxylate 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 eburnamenine-14-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl eburnamenine-14-carboxylate 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 eburnamenine-14-carboxylate?
The CAS number of Ethyl eburnamenine-14-carboxylate is 42971-09-5.
What is the molecular formula of Ethyl eburnamenine-14-carboxylate?
The molecular formula of Ethyl eburnamenine-14-carboxylate is C22H26N2O2.
What is the molecular weight of Ethyl eburnamenine-14-carboxylate?
The molecular weight of Ethyl eburnamenine-14-carboxylate is 350.20 g/mol.
Where can I buy Ethyl eburnamenine-14-carboxylate?
You can request a quote for Ethyl eburnamenine-14-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl eburnamenine-14-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl eburnamenine-14-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.