ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate
TL;DR: ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate (CAS 330952-41-5) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-2-methyl-1-(2-methylphenyl)indole-3-carboxylate
Also Known As: ethyl 5-acetoxy-2-methyl-1-(o-tolyl)-1H-indole-3-carboxylate, ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate, ethyl 5-acetyloxy-2-methyl-1-(2-methylphenyl)indole-3-carboxylate
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 4.34934 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 1000.6589 |
Chemical Identifiers
| CAS Number | 330952-41-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3C)C |
Product Overview
ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate (CAS 330952-41-5), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: ethyl 5-acetyloxy-2-methyl-1-(2-methylphenyl)indole-3-carboxylate.
Chemical Property Profile of ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate
Property Insights of ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate
The XLogP value of 4.34934 indicates that ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate?
The CAS number of ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate is 330952-41-5.
What is the molecular formula of ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate is C21H21NO4.
What is the molecular weight of ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate is 351.15 g/mol.
Where can I buy ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(acetyloxy)-2-methyl-1-(2-methylphenyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.