4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
TL;DR: 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (CAS 545430-91-9) is a chemical compound with molecular formula C15H13BrN2O3S2 and molecular weight 411.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
Also Known As: 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide, 4-bromo-N-(6-ethoxybenzothiazol-2-yl)benzenesulfonamide, [(4-bromophenyl)sulfonyl](6-ethoxybenzothiazol-2-yl)amine, 4-BROMO-N-(6-ETHOXY-13-BENZOTHIAZOL-2-YL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C15H13BrN2O3S2 |
|---|---|
| Molecular Weight | 411.96 g/mol |
| LogP | 4.2583 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.9551 |
| Heavy Atoms | 23 |
| Complexity | 937.0153 |
Chemical Identifiers
| CAS Number | 545430-91-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (CAS 545430-91-9), with molecular formula C15H13BrN2O3S2 and molecular weight 411.96 g/mol. IUPAC: 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide.
Chemical Property Profile of 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
Property Insights of 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
The XLogP value of 4.2583 indicates that 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-bromo-N-(6-ethoxy-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-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The CAS number of 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is 545430-91-9.
What is the molecular formula of 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The molecular formula of 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is C15H13BrN2O3S2.
What is the molecular weight of 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The molecular weight of 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is 411.96 g/mol.
Where can I buy 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
You can request a quote for 4-bromo-N-(6-ethoxy-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-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.