N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
TL;DR: N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CAS 727672-14-2) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
Also Known As: N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide, BAS 13090637, N-(tert-Butyl)-7-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonamide, N-tert-butyl-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide, N-tert-butyl-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 1.40272 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 659.6841 |
Chemical Identifiers
| CAS Number | 727672-14-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)C)NC(=O)CO2 |
Product Overview
N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CAS 727672-14-2), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: N-tert-butyl-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
Chemical Property Profile of N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Property Insights of N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
The XLogP value of 1.40272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-7-methyl-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-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide. Following Lipinski's Rule of Five, N-(tert-butyl)-7-methyl-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-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The CAS number of N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is 727672-14-2.
What is the molecular formula of N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The molecular formula of N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is C13H18N2O4S.
What is the molecular weight of N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The molecular weight of N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is 298.10 g/mol.
Where can I buy N-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
You can request a quote for N-(tert-butyl)-7-methyl-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-(tert-butyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-7-methyl-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.