4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide
TL;DR: 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide (CAS 600130-96-9) is a chemical compound with molecular formula C15H15BrN2O3S2 and molecular weight 413.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide
Also Known As: 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide, 4-bromo-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide, 2-{[(4-bromophenyl)sulfonyl]amino}-5,5-dimethyl-4,5,6-trihydrobenzothiazol-7-o ne
| Molecular Formula | C15H15BrN2O3S2 |
|---|---|
| Molecular Weight | 413.97 g/mol |
| LogP | 3.8615 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.97076 |
| Heavy Atoms | 23 |
| Complexity | 870.627 |
Chemical Identifiers
| CAS Number | 600130-96-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)Br)C |
Product Overview
4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide (CAS 600130-96-9), with molecular formula C15H15BrN2O3S2 and molecular weight 413.97 g/mol. IUPAC: 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide.
Chemical Property Profile of 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide
Property Insights of 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide
The XLogP value of 3.8615 indicates that 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-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-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The CAS number of 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide is 600130-96-9.
What is the molecular formula of 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The molecular formula of 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide is C15H15BrN2O3S2.
What is the molecular weight of 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The molecular weight of 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide is 413.97 g/mol.
Where can I buy 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
You can request a quote for 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-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-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.