6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 31794-46-4) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-piperidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
Also Known As: 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one, 6-(piperidylsulfonyl)-2H,4H-benzo[e]1,4-oxazin-3-one, 6-(piperidin-1-ylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one, 6-piperidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one, 4H-Benzo[1,4]oxazin-3-one, 6-(piperidine-1-sulfonyl)-
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.1921 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 635.7713 |
Chemical Identifiers
| CAS Number | 31794-46-4 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 |
Product Overview
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 31794-46-4), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: 6-piperidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.1921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-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-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one is 31794-46-4.
What is the molecular formula of 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one is C13H16N2O4S.
What is the molecular weight of 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one is 296.08 g/mol.
Where can I buy 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-(1-Piperidinylsulfonyl)-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-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.