1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester
TL;DR: 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester (CAS 58074-24-1) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Also Known As: Ethyl 3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester, Ethyl 4,5,6,7-tetrahydro-3-hydroxyindole-2-carboxylate, 4,5,6,7-Tetrahydro-3-hydroxy-1H-indole-2-carboxylic acid ethyl ester, Ethyl3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 58074-24-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)CCCC2)O |
| InChIKey | HJUVQCWLSAFWHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester (CAS 58074-24-1), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: ethyl 3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylate.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester
Property Insights of 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, 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-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester?
The CAS number of 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester is 58074-24-1.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester?
The molecular formula of 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester is C11H15NO3.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester?
The molecular weight of 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester is 209.11 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester?
You can request a quote for 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, 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-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.