3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
TL;DR: 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid (CAS 115102-47-1) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid
Also Known As: 3-Methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid, 5-ethoxyfuran-2-carboxylic acid, 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid, BAS 10157233, 1H-Indole-2-carboxylicacid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.54032 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 417.24677 |
Chemical Identifiers
| CAS Number | 115102-47-1 |
|---|---|
| SMILES | CC1=C(NC2=C1C(=O)CCC2)C(=O)O |
Product Overview
3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid (CAS 115102-47-1), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid.
Chemical Property Profile of 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
Property Insights of 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
The XLogP value of 1.54032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
The CAS number of 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid is 115102-47-1.
What is the molecular formula of 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
The molecular formula of 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid is C10H11NO3.
What is the molecular weight of 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
The molecular weight of 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid is 193.07 g/mol.
Where can I buy 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
You can request a quote for 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.