![2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide structure](/static/products/5239/523991-67-5.webp)
2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide
TL;DR: 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide (CAS 523991-67-5) is a chemical compound with molecular formula C20H18N4O4S3 and molecular weight 474.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
Also Known As: 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide, 2-(1,3-benzothiazol-2-ylthio)-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]acetamide, 2-(1,3-benzothiazol-2-ylthio)-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]acetamide
| Molecular Formula | C20H18N4O4S3 |
|---|---|
| Molecular Weight | 474.05 g/mol |
| LogP | 4.43274 |
| Topological Polar Surface Area | 114.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.049 |
| Heavy Atoms | 31 |
| Complexity | 1311.5273 |
Chemical Identifiers
| CAS Number | 523991-67-5 |
|---|---|
| SMILES | CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide (CAS 523991-67-5), with molecular formula C20H18N4O4S3 and molecular weight 474.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide
Property Insights of 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide
The XLogP value of 4.43274 indicates that 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide has 2 hydrogen bond donor(s) and 8 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 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide?
The CAS number of 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide is 523991-67-5.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide?
The molecular formula of 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide is C20H18N4O4S3.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide?
The molecular weight of 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide is 474.05 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide?
You can request a quote for 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylthio)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.