N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
TL;DR: N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide (CAS 663169-06-0) is a chemical compound with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide, F2748-0194, AN-648/41701190, N-(4-bromo-3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
| Molecular Formula | C16H13BrN2O4S |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 2.54072 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.97794 |
| Heavy Atoms | 24 |
| Complexity | 956.2998 |
Chemical Identifiers
| CAS Number | 663169-06-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br |
Product Overview
N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide (CAS 663169-06-0), with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
Property Insights of N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
The XLogP value of 2.54072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide. Following Lipinski's Rule of Five, N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide has 1 hydrogen bond donor(s) and 4 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 N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide?
The CAS number of N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide is 663169-06-0.
What is the molecular formula of N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide?
The molecular formula of N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide is C16H13BrN2O4S.
What is the molecular weight of N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide?
The molecular weight of N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide is 407.98 g/mol.
Where can I buy N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide?
You can request a quote for N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-3-methylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.