1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid
TL;DR: 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid (CAS 887424-07-9) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-methylsulfonylindole-2-carboxylic acid
Also Known As: Peakdale1_002323, 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid, 1-methyl-5-methylsulfonylindole-2-carboxylic acid
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 1.28 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 712.3918 |
Chemical Identifiers
| CAS Number | 887424-07-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)C=C1C(=O)O |
Product Overview
1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid (CAS 887424-07-9), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: 1-methyl-5-methylsulfonylindole-2-carboxylic acid.
Chemical Property Profile of 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid
Property Insights of 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid
The XLogP value of 1.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid has 1 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 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid?
The CAS number of 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid is 887424-07-9.
What is the molecular formula of 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid?
The molecular formula of 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid is C11H11NO4S.
What is the molecular weight of 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid?
The molecular weight of 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid is 253.04 g/mol.
Where can I buy 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid?
You can request a quote for 1-Methyl-5-(methylsulfonyl)-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 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(methylsulfonyl)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.