6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
TL;DR: 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one (CAS 696636-13-2) is a chemical compound with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
Also Known As: BAS 14051075, 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one, 6-(Pyrrolidine-1-sulfonyl)-4H-benzo[1,4]oxazin-3-one, 6-(pyrrolidin-1-ylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one, 6-(pyrrolidinylsulfonyl)-2H,4H-benzo[e]1,4-oxazin-3-one
| Molecular Formula | C12H14N2O4S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 0.802 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0674 |
| Heavy Atoms | 19 |
| Complexity | 620.6166 |
Chemical Identifiers
| CAS Number | 696636-13-2 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3 |
Product Overview
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one (CAS 696636-13-2), with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol. IUPAC: 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
Property Insights of 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
The XLogP value of 0.802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 6-pyrrolidin-1-ylsulfonyl-4H-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-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one?
The CAS number of 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one is 696636-13-2.
What is the molecular formula of 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one?
The molecular formula of 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one is C12H14N2O4S.
What is the molecular weight of 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one?
The molecular weight of 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one is 282.07 g/mol.
Where can I buy 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one?
You can request a quote for 6-pyrrolidin-1-ylsulfonyl-4H-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-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.