1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid
TL;DR: 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid (CAS 287714-79-8) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-5-hydroxyindole-2-carboxylic acid
Also Known As: 1-(3-chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid, 1-[(3-chlorophenyl)methyl]-5-hydroxy-indole-2-carboxylic Acid
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.7468 |
| Topological Polar Surface Area | 62.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 838.6544 |
Chemical Identifiers
| CAS Number | 287714-79-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CN2C3=C(C=C(C=C3)O)C=C2C(=O)O |
Product Overview
1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid (CAS 287714-79-8), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-5-hydroxyindole-2-carboxylic acid.
Chemical Property Profile of 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid
Property Insights of 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid
The XLogP value of 3.7468 indicates that 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid has 2 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 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid?
The CAS number of 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid is 287714-79-8.
What is the molecular formula of 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid?
The molecular formula of 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid is C16H12ClNO3.
What is the molecular weight of 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid?
The molecular weight of 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid is 301.05 g/mol.
Where can I buy 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid?
You can request a quote for 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzyl)-5-hydroxy-1h-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.