3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
TL;DR: 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide (CAS 825600-87-1) 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-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide
Also Known As: BAS 09106312, 3-methyl-2-oxo-N-phenethyl-1,3-benzoxazole-6-sulfonamide, 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide, 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide, 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid phenethyl-amide
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.6525 |
| Topological Polar Surface Area | 81.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 987.84216 |
Chemical Identifiers
| CAS Number | 825600-87-1 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)OC1=O |
Product Overview
3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide (CAS 825600-87-1), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide.
Chemical Property Profile of 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Property Insights of 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
The XLogP value of 1.6525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide. The TPSA of 81.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide. Following Lipinski's Rule of Five, 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide has 1 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-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
The CAS number of 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide is 825600-87-1.
What is the molecular formula of 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
The molecular formula of 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide is C16H16N2O4S.
What is the molecular weight of 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
The molecular weight of 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide is 332.08 g/mol.
Where can I buy 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
You can request a quote for 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-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-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.