6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 860648-57-3) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylsulfonyl-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
Also Known As: 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one, ethylsulfonylhydroxyethylbenzoxazinone, 6-ethylsulfonyl-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one, 6-(ethanesulfonyl)-2-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4- benzoxazin-3(4H)-one
| Molecular Formula | C12H15NO5S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 0.5621 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.0671 |
| Heavy Atoms | 19 |
| Complexity | 596.1373 |
Chemical Identifiers
| CAS Number | 860648-57-3 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2)CCO |
Product Overview
6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 860648-57-3), with molecular formula C12H15NO5S and molecular weight 285.07 g/mol. IUPAC: 6-ethylsulfonyl-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 0.5621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one has 2 hydrogen bond donor(s) and 5 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 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is 860648-57-3.
What is the molecular formula of 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is C12H15NO5S.
What is the molecular weight of 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one is 285.07 g/mol.
Where can I buy 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(ethylsulfonyl)-2-(2-hydroxyethyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.