1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester
TL;DR: 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester (CAS 89586-51-6) 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.
methyl 7-acetyloxy-2,5-dimethyl-1H-indole-6-carboxylate
Also Known As: 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester, methyl 7-acetyloxy-2,5-dimethyl-1H-indole-6-carboxylate, Methyl 7-(acetyloxy)-2,5-dimethyl-1H-indole-6-carboxylate, Methyl 7-(acetyloxy)-2,5-dimethyl-1H-indole-6-carboxylate #, RefChem:239174
| 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 | 4 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 89586-51-6 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C(=O)OC)OC(=O)C)NC(=C2)C |
| InChIKey | IMFDULXGLUEWGP-UHFFFAOYSA-N |
Product Overview
1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester (CAS 89586-51-6), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: methyl 7-acetyloxy-2,5-dimethyl-1H-indole-6-carboxylate.
Chemical Property Profile of 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester
Property Insights of 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl 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-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester?
The CAS number of 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester is 89586-51-6.
What is the molecular formula of 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester?
The molecular formula of 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester is C14H15NO4.
What is the molecular weight of 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester?
The molecular weight of 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester is 261.10 g/mol.
Where can I buy 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester?
You can request a quote for 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl 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-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-6-carboxylic acid, 7-(acetyloxy)-2,5-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.