6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
TL;DR: 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 459190-08-0) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfonyl-4H-1,4-benzoxazin-3-one
Also Known As: 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-methylsulfonyl-4H-1,4-benzoxazin-3-one, 6-(Methylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one, AB00682649-01, 6-(methylsulfonyl)-2H,4H-benzo[e]1,4-oxazaperhydroin-3-one
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 0.421 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 520.91394 |
Chemical Identifiers
| CAS Number | 459190-08-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2 |
Product Overview
6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 459190-08-0), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 6-methylsulfonyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
Property Insights of 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
The XLogP value of 0.421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one 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 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The CAS number of 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one is 459190-08-0.
What is the molecular formula of 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular formula of 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one is C9H9NO4S.
What is the molecular weight of 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular weight of 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one is 227.03 g/mol.
Where can I buy 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
You can request a quote for 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.