N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
TL;DR: N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CAS 696635-98-0) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
Also Known As: BAS 13090425, N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide, N-(2,6-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide, A3450/0146504, 6-{[(2,6-dimethylphenyl)amino]sulfonyl}-2H,4H-benzo[e]1,4-oxazin-3-one
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.43514 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 870.6984 |
Chemical Identifiers
| CAS Number | 696635-98-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 |
Product Overview
N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CAS 696635-98-0), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: N-(2,6-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
Chemical Property Profile of N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Property Insights of N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
The XLogP value of 2.43514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide. Following Lipinski's Rule of Five, N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide has 2 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-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The CAS number of N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is 696635-98-0.
What is the molecular formula of N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The molecular formula of N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is C16H16N2O4S.
What is the molecular weight of N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The molecular weight of N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is 332.08 g/mol.
Where can I buy N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
You can request a quote for N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.