4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid
TL;DR: 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid (CAS 668261-32-3) is a chemical compound with molecular formula C15H12BrNO4S and molecular weight 380.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
Also Known As: 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid, 4-bromo-3-(2,3-dihydro-1H-indol-1-ylsulfonyl)benzoic acid, 4-Bromo-3-(indolin-1-ylsulfonyl)benzoic acid, 4-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic Acid, 4-bromo-3-indolin-1-ylsulfonyl-benzoic acid
| Molecular Formula | C15H12BrNO4S |
|---|---|
| Molecular Weight | 380.97 g/mol |
| LogP | 2.8987 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.96704 |
| Heavy Atoms | 22 |
| Complexity | 863.5962 |
Chemical Identifiers
| CAS Number | 668261-32-3 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Br |
Product Overview
4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid (CAS 668261-32-3), with molecular formula C15H12BrNO4S and molecular weight 380.97 g/mol. IUPAC: 4-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid.
Chemical Property Profile of 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid
Property Insights of 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid
The XLogP value of 2.8987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-bromo-3-(2,3-dihydro-1H-indole-1-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 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid?
The CAS number of 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid is 668261-32-3.
What is the molecular formula of 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid?
The molecular formula of 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid is C15H12BrNO4S.
What is the molecular weight of 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid?
The molecular weight of 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid is 380.97 g/mol.
Where can I buy 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid?
You can request a quote for 4-bromo-3-(2,3-dihydro-1H-indole-1-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 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3-(2,3-dihydro-1H-indole-1-sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.