1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester
TL;DR: 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester (CAS 431933-77-6) is a chemical compound with molecular formula C20H19NO6 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate
Also Known As: BAS 06108196, METHYL 1-(3,4,5-TRIMETHOXYBENZOYL)-1H-INDOLE-3-CARBOXYLATE, methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate, 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester, methyl 1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-indole-3-carboxylate
| Molecular Formula | C20H19NO6 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 3.1422 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.12125 |
| Heavy Atoms | 27 |
| Complexity | 995.479 |
Chemical Identifiers
| CAS Number | 431933-77-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC |
Product Overview
1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester (CAS 431933-77-6), with molecular formula C20H19NO6 and molecular weight 369.12 g/mol. IUPAC: methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate.
Chemical Property Profile of 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester
Property Insights of 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester
The XLogP value of 3.1422 indicates that 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 6 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-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester?
The CAS number of 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester is 431933-77-6.
What is the molecular formula of 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester?
The molecular formula of 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester is C20H19NO6.
What is the molecular weight of 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester?
The molecular weight of 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester is 369.12 g/mol.
Where can I buy 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester?
You can request a quote for 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethoxy-benzoyl)-1H-indole-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.