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Ethyl 3H-benzo[e]indole-2-carboxylate
TL;DR: Ethyl 3H-benzo[e]indole-2-carboxylate (CAS 52280-52-1) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3H-benzo[e]indole-2-carboxylate
Also Known As: Ethyl 3H-benzo[e]indole-2-carboxylate, ethyl benz[e]indole-2-carboxylate, 3H-Benz[e]indole-2-carboxylic acid ethyl ester, 3H-Benz[e]indole-2-carboxylic acid, ethyl ester, 3H-Benz[e]indole-2-carboxylic acid,ethyl ester
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 52280-52-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC3=CC=CC=C32 |
| InChIKey | MZNWVDAWTJDZLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3H-benzo[e]indole-2-carboxylate (CAS 52280-52-1), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: ethyl 3H-benzo[e]indole-2-carboxylate.
Chemical Property Profile of Ethyl 3H-benzo[e]indole-2-carboxylate
Property Insights of Ethyl 3H-benzo[e]indole-2-carboxylate
The XLogP value of 4.4 indicates that Ethyl 3H-benzo[e]indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 3H-benzo[e]indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3H-benzo[e]indole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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 3H-benzo[e]indole-2-carboxylate?
The CAS number of Ethyl 3H-benzo[e]indole-2-carboxylate is 52280-52-1.
What is the molecular formula of Ethyl 3H-benzo[e]indole-2-carboxylate?
The molecular formula of Ethyl 3H-benzo[e]indole-2-carboxylate is C15H13NO2.
What is the molecular weight of Ethyl 3H-benzo[e]indole-2-carboxylate?
The molecular weight of Ethyl 3H-benzo[e]indole-2-carboxylate is 239.09 g/mol.
Where can I buy Ethyl 3H-benzo[e]indole-2-carboxylate?
You can request a quote for Ethyl 3H-benzo[e]indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3H-benzo[e]indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3H-benzo[e]indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.