1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester
TL;DR: 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester (CAS 20862-91-3) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-2-methyl-1H-indole-3-carboxylate
Also Known As: Arbidol Impurity 17, Arbidol Impurity 49, BIM-0020236.P001, ethyl 5-acetoxy-2-methyl-1H-indole-3-carboxylate, ethyl 5-acetyloxy-2-methyl-1H-indole-3-carboxylate
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 20862-91-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C1C=C(C=C2)OC(=O)C)C |
| InChIKey | BJLPFJJDYYRIQS-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester (CAS 20862-91-3), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: ethyl 5-acetyloxy-2-methyl-1H-indole-3-carboxylate.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester
Property Insights of 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester has 1 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 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester?
The CAS number of 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester is 20862-91-3.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester?
The molecular formula of 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester is C14H15NO4.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester?
The molecular weight of 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester is 261.10 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester?
You can request a quote for 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl 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-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.