Ethyl 5-chloroindole-2-carboxylate
TL;DR: Ethyl 5-chloroindole-2-carboxylate (CAS 4792-67-0) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-1H-indole-2-carboxylate
Also Known As: Ethyl 5-chloro-1H-indole-2-carboxylate, Ethyl 5-chloroindole-2-carboxylate, Ethyl 5-chloro-2-indolecarboxylate, 5-Chloroindole-2-carboxylic Acid Ethyl Ester, 5-Cl-ICA-OEt
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 4792-67-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Cl |
| InChIKey | LWKIFKYHCJAIAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-chloroindole-2-carboxylate (CAS 4792-67-0), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: ethyl 5-chloro-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 5-chloroindole-2-carboxylate
Property Insights of Ethyl 5-chloroindole-2-carboxylate
The XLogP value of 3.8 indicates that Ethyl 5-chloroindole-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 5-chloroindole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chloroindole-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 5-chloroindole-2-carboxylate?
The CAS number of Ethyl 5-chloroindole-2-carboxylate is 4792-67-0.
What is the molecular formula of Ethyl 5-chloroindole-2-carboxylate?
The molecular formula of Ethyl 5-chloroindole-2-carboxylate is C11H10ClNO2.
What is the molecular weight of Ethyl 5-chloroindole-2-carboxylate?
The molecular weight of Ethyl 5-chloroindole-2-carboxylate is 223.04 g/mol.
Where can I buy Ethyl 5-chloroindole-2-carboxylate?
You can request a quote for Ethyl 5-chloroindole-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 5-chloroindole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloroindole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.