3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid
TL;DR: 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid (CAS 326619-13-0) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
Also Known As: 3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]benzoic acid, 3-(2-Methyl-2,3-dihydro-indole-1-sulfonyl)-benzoic acid, 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic Acid, 3-(2-methylindolin-1-yl)sulfonylbenzoic acid, 3-[(2,3-Dihydro-2-methyl-1H-indol-1-yl)sulfonyl]benzoic acid
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.5247 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 844.72925 |
Chemical Identifiers
| CAS Number | 326619-13-0 |
|---|---|
| SMILES | CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid (CAS 326619-13-0), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid.
Chemical Property Profile of 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid
Property Insights of 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid
The XLogP value of 2.5247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic 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 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid?
The CAS number of 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid is 326619-13-0.
What is the molecular formula of 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid?
The molecular formula of 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid is C16H15NO4S.
What is the molecular weight of 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid?
The molecular weight of 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid is 317.07 g/mol.
Where can I buy 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid?
You can request a quote for 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.