2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
TL;DR: 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid (CAS 54778-22-2) is a chemical compound with molecular formula C15H10ClNO2 and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-phenylindole-3-carboxylic acid
Also Known As: 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid, 1-Phenyl-2-chloroindole-3-carboxylic acid, 2-chloro-1-phenylindole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 2-chloro-1-phenyl-, 5-22-03-00040 (Beilstein Handbook Reference)
| Molecular Formula | C15H10ClNO2 |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.04 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 54778-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C(=O)O |
| InChIKey | FWZUBSMPPRSUSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1-phenyl-1H-indole-3-carboxylic acid (CAS 54778-22-2), with molecular formula C15H10ClNO2 and molecular weight 271.04 g/mol. IUPAC: 2-chloro-1-phenylindole-3-carboxylic acid.
Chemical Property Profile of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
Property Insights of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
The XLogP value of 4.1 indicates that 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid 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 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid?
The CAS number of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid is 54778-22-2.
What is the molecular formula of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid?
The molecular formula of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid is C15H10ClNO2.
What is the molecular weight of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid?
The molecular weight of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid is 271.04 g/mol.
Where can I buy 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid?
You can request a quote for 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.