Ethyl Beta-Carboline-3-Carboxylate
TL;DR: Ethyl Beta-Carboline-3-Carboxylate (CAS 74214-62-3) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: beta-CCE, Ethyl beta-carboline-3-carboxylate, Ethyl 9H-pyrido[3,4-b]indole-3-carboxylate, b-cce, Beta CCE
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.08987 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.08987 Da |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| Solubility | 7.5 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 |
| InChIKey | KOVRZNUMIKACTB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl Beta-Carboline-3-Carboxylate
Property Insights of Ethyl Beta-Carboline-3-Carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl Beta-Carboline-3-Carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl Beta-Carboline-3-Carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl Beta-Carboline-3-Carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl Beta-Carboline-3-Carboxylate?
The CAS number of Ethyl Beta-Carboline-3-Carboxylate is 74214-62-3.
What is the molecular formula of Ethyl Beta-Carboline-3-Carboxylate?
The molecular formula of Ethyl Beta-Carboline-3-Carboxylate is C14H12N2O2.
What is the molecular weight of Ethyl Beta-Carboline-3-Carboxylate?
The molecular weight of Ethyl Beta-Carboline-3-Carboxylate is 240.08987 g/mol.
Where can I buy Ethyl Beta-Carboline-3-Carboxylate?
You can request a quote for Ethyl Beta-Carboline-3-Carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl Beta-Carboline-3-Carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl Beta-Carboline-3-Carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.