![7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one structure](/static/products/893/893766-86-4.png)
7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
TL;DR: 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one (CAS 893766-86-4) is a chemical compound with molecular formula C19H20FN3O4S and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
Also Known As: A4093/0174533, 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one, 7-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one, 7-{[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}-6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
| Molecular Formula | C19H20FN3O4S |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 1.97592 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.11584 |
| Heavy Atoms | 28 |
| Complexity | 1033.4694 |
Chemical Identifiers
| CAS Number | 893766-86-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)OCC(=O)N2 |
Product Overview
7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one (CAS 893766-86-4), with molecular formula C19H20FN3O4S and molecular weight 405.12 g/mol. IUPAC: 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
Property Insights of 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
The XLogP value of 1.97592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one has 1 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 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
The CAS number of 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one is 893766-86-4.
What is the molecular formula of 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
The molecular formula of 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one is C19H20FN3O4S.
What is the molecular weight of 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
The molecular weight of 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one is 405.12 g/mol.
Where can I buy 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
You can request a quote for 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-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 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.