1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester
TL;DR: 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester (CAS 7598-91-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
Also Known As: Ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate, Ethyl 5-hydroxy-2-methylindole-3-carboxylate, Madumitsin, Madumycin, Mecarbin
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 7598-91-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C1C=C(C=C2)O)C |
| InChIKey | BSNHKSUAAMJXBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester (CAS 7598-91-6), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester
Property Insights of 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester has 2 hydrogen bond donor(s) and 3 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-hydroxy-2-methyl-, ethyl ester?
The CAS number of 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester is 7598-91-6.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester?
The molecular formula of 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester is C12H13NO3.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester?
The molecular weight of 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester is 219.09 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester?
You can request a quote for 1H-Indole-3-carboxylic acid, 5-hydroxy-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-hydroxy-2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.