ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate
TL;DR: ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate (CAS 21220-92-8) is a chemical compound with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate
Also Known As: ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate, ethylchlorophenylindolecarboxylate, 6-Methyl-5-nitropicolinic acid, 5-Chloro-3-phenyl-1H-indole-2-carboxylic acid ethyl ester, ethyl 5-chloro-3-phenylindole-2-carboxylate
| Molecular Formula | C17H14ClNO2 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07132 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 21220-92-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3 |
| InChIKey | FSLOLRKVZPTMHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate (CAS 21220-92-8), with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol. IUPAC: ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate
Property Insights of ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate
The XLogP value of 4.9 indicates that ethyl 5-chloro-3-phenyl-1H-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 5-chloro-3-phenyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-chloro-3-phenyl-1H-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 5-chloro-3-phenyl-1H-indole-2-carboxylate?
The CAS number of ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate is 21220-92-8.
What is the molecular formula of ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate is C17H14ClNO2.
What is the molecular weight of ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate is 299.07 g/mol.
Where can I buy ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-chloro-3-phenyl-1H-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 5-chloro-3-phenyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.