3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
TL;DR: 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CAS 696636-03-0) 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.
3-oxo-N-(2-phenylethyl)-4H-1,4-benzoxazine-6-sulfonamide
Also Known As: BAS 14051073, 3-oxo-N-phenethyl-4H-1,4-benzoxazine-6-sulfonamide, 3-oxo-N-(2-phenylethyl)-4H-1,4-benzoxazine-6-sulfonamide, A3450/0146505, 3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-sulfonic acid phenethyl-amide
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.5385 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 819.2288 |
Chemical Identifiers
| CAS Number | 696636-03-0 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC3=CC=CC=C3 |
Product Overview
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CAS 696636-03-0), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 3-oxo-N-(2-phenylethyl)-4H-1,4-benzoxazine-6-sulfonamide.
Chemical Property Profile of 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Property Insights of 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
The XLogP value of 1.5385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-N-(2-phenylethyl)-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 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide. Following Lipinski's Rule of Five, 3-oxo-N-(2-phenylethyl)-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 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The CAS number of 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is 696636-03-0.
What is the molecular formula of 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The molecular formula of 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is C16H16N2O4S.
What is the molecular weight of 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The molecular weight of 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is 332.08 g/mol.
Where can I buy 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
You can request a quote for 3-oxo-N-(2-phenylethyl)-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 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.