![{1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid structure](/static/products/1474/147-44-4.webp)
{1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid
TL;DR: {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid (CAS 147-44-4) is a chemical compound with molecular formula C18H16ClNO2 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]acetic acid
Also Known As: 1-p-chlorobenzyl-5-methylindole-3-acetic acid, 2-[1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]acetic acid, 2-(1-(4-Chlorobenzyl)-5-methyl-1H-indol-3-yl)acetic acid, [1-(4-chloro-benzyl)-5-methyl-indol-3-yl]-acetic acid, {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid
| Molecular Formula | C18H16ClNO2 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.08694 |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 147-44-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C=C2CC(=O)O)CC3=CC=C(C=C3)Cl |
| InChIKey | LWTASERQKKFWBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
{1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid (CAS 147-44-4), with molecular formula C18H16ClNO2 and molecular weight 313.09 g/mol. IUPAC: 2-[1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]acetic acid.
Chemical Property Profile of {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid
Property Insights of {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid
The XLogP value of 4.1 indicates that {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic 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, {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic 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 {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid?
The CAS number of {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid is 147-44-4.
What is the molecular formula of {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid?
The molecular formula of {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid is C18H16ClNO2.
What is the molecular weight of {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid?
The molecular weight of {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid is 313.09 g/mol.
Where can I buy {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid?
You can request a quote for {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}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-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {1-[(4-Chlorophenyl)methyl]-5-methyl-1H-indol-3-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.