N(4)-acetylsulfamethoxazole
TL;DR: N(4)-acetylsulfamethoxazole (CAS 21312-10-7) is a chemical compound with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
Also Known As: Acetylsulfamethoxazole, N4-Acetylsulfamethoxazole, N-Acetyl sulfamethoxazole, N-acetylsulfamethoxazole, SMX-acetate
| Molecular Formula | C12H13N3O4S |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.06268 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 21312-10-7 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C |
| InChIKey | GXPIUNZCALHVBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N(4)-acetylsulfamethoxazole (CAS 21312-10-7), with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol. IUPAC: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
Chemical Property Profile of N(4)-acetylsulfamethoxazole
Property Insights of N(4)-acetylsulfamethoxazole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(4)-acetylsulfamethoxazole. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N(4)-acetylsulfamethoxazole. Following Lipinski's Rule of Five, N(4)-acetylsulfamethoxazole has 2 hydrogen bond donor(s) and 6 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)-acetylsulfamethoxazole?
The CAS number of N(4)-acetylsulfamethoxazole is 21312-10-7.
What is the molecular formula of N(4)-acetylsulfamethoxazole?
The molecular formula of N(4)-acetylsulfamethoxazole is C12H13N3O4S.
What is the molecular weight of N(4)-acetylsulfamethoxazole?
The molecular weight of N(4)-acetylsulfamethoxazole is 295.06 g/mol.
Where can I buy N(4)-acetylsulfamethoxazole?
You can request a quote for N(4)-acetylsulfamethoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(4)-acetylsulfamethoxazole?
Yes, KEHONG BIO provides custom synthesis services for N(4)-acetylsulfamethoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.