1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid
TL;DR: 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid (CAS 84126-83-0) is a chemical compound with molecular formula C19H18ClNO3 and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid
Also Known As: Indomethacin Analogue, Lopac-C-1610, Lopac0_000239, 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid, Tox21_500239
| Molecular Formula | C19H18ClNO3 |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 4.28712 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.09753 |
| Heavy Atoms | 24 |
| Complexity | 897.1111 |
Chemical Identifiers
| CAS Number | 84126-83-0 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O |
Product Overview
1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid (CAS 84126-83-0), with molecular formula C19H18ClNO3 and molecular weight 343.10 g/mol. IUPAC: 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid.
Chemical Property Profile of 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid
Property Insights of 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid
The XLogP value of 4.28712 indicates that 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-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-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid?
The CAS number of 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid is 84126-83-0.
What is the molecular formula of 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid?
The molecular formula of 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid is C19H18ClNO3.
What is the molecular weight of 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid?
The molecular weight of 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid is 343.10 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid?
You can request a quote for 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-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-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.