3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide
TL;DR: 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide (CAS 696635-93-5) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide
Also Known As: BAS 14051072, 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide, A3450/0146503, 3-oxo-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide, N-allyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 0.4818 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 595.0608 |
Chemical Identifiers
| CAS Number | 696635-93-5 |
|---|---|
| SMILES | C=CCNS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2 |
Product Overview
3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide (CAS 696635-93-5), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide.
Chemical Property Profile of 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide
Property Insights of 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide
The XLogP value of 0.4818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide. Following Lipinski's Rule of Five, 3-oxo-N-prop-2-enyl-4H-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 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide?
The CAS number of 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide is 696635-93-5.
What is the molecular formula of 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide?
The molecular formula of 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide is C11H12N2O4S.
What is the molecular weight of 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide?
The molecular weight of 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide is 268.05 g/mol.
Where can I buy 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide?
You can request a quote for 3-oxo-N-prop-2-enyl-4H-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 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.