4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
TL;DR: 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide (CAS 518052-52-3) is a chemical compound with molecular formula C13H8BrNO4S2 and molecular weight 384.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
Also Known As: 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide, AP-906/41640259, 4-BROMO-N-(2-OXO-2H-1,3-BENZOXATHIOL-5-YL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C13H8BrNO4S2 |
|---|---|
| Molecular Weight | 384.91 g/mol |
| LogP | 3.4178 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.9078 |
| Heavy Atoms | 21 |
| Complexity | 957.75 |
Chemical Identifiers
| CAS Number | 518052-52-3 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC(=O)S3)Br |
Product Overview
4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide (CAS 518052-52-3), with molecular formula C13H8BrNO4S2 and molecular weight 384.91 g/mol. IUPAC: 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide.
Chemical Property Profile of 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
Property Insights of 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
The XLogP value of 3.4178 indicates that 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide has 1 hydrogen bond donor(s) and 5 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-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
The CAS number of 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide is 518052-52-3.
What is the molecular formula of 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
The molecular formula of 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide is C13H8BrNO4S2.
What is the molecular weight of 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
The molecular weight of 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide is 384.91 g/mol.
Where can I buy 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
You can request a quote for 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.