1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid
TL;DR: 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid (CAS 339016-33-0) 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.
2-[1-[(3-chlorophenyl)methyl]indol-3-yl]acetic acid
Also Known As: 2-[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid, 4ok3, chlorobenzylindolylaceticacid, 2-[1-[(3-chlorophenyl)methyl]indol-3-yl]acetic Acid, [1-(3-Chloro-benzyl)-1H-indol-3-yl]-acetic acid
| Molecular Formula | C17H14ClNO2 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 3.9701 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07132 |
| Heavy Atoms | 21 |
| Complexity | 807.4103 |
Chemical Identifiers
| CAS Number | 339016-33-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CC(=O)O |
Product Overview
1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid (CAS 339016-33-0), with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol. IUPAC: 2-[1-[(3-chlorophenyl)methyl]indol-3-yl]acetic acid.
Chemical Property Profile of 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid
Property Insights of 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid
The XLogP value of 3.9701 indicates that 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid has 1 hydrogen bond donor(s) and 1 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-Chlorophenyl)methyl)-1H-indole-3-acetic acid?
The CAS number of 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid is 339016-33-0.
What is the molecular formula of 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid?
The molecular formula of 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid is C17H14ClNO2.
What is the molecular weight of 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid?
The molecular weight of 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid is 299.07 g/mol.
Where can I buy 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid?
You can request a quote for 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic 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-Chlorophenyl)methyl)-1H-indole-3-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.