1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester
TL;DR: 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester (CAS 67369-99-7) is a chemical compound with molecular formula C26H22ClNO4 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: m-Tolyl 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate, 1H-INDOLE-3-ACETIC ACID, 1-(p-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, m-TOLYL ESTER, (3-Methylphenyl)2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, (3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3-methylphenyl ester
| Molecular Formula | C26H22ClNO4 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.12375 |
| Heavy Atoms | 32 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 67369-99-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C |
| InChIKey | QDCVWPQCSLGGCA-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester (CAS 67369-99-7), with molecular formula C26H22ClNO4 and molecular weight 447.12 g/mol. IUPAC: (3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester
Property Insights of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester
The XLogP value of 6.5 indicates that 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester?
The CAS number of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester is 67369-99-7.
What is the molecular formula of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester?
The molecular formula of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester is C26H22ClNO4.
What is the molecular weight of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester?
The molecular weight of 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester is 447.12 g/mol.
Where can I buy 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester?
You can request a quote for 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, m-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.