![4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one structure](/static/products/865/865658-76-0.png)
4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
TL;DR: 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one (CAS 865658-76-0) is a chemical compound with molecular formula C15H11FN2O4S and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)sulfonyl-2-methyl-1,3,4-benzoxadiazepin-5-one
Also Known As: 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one, 4-(4-fluorophenyl)sulfonyl-2-methyl-1,3,4-benzoxadiazepin-5-one, 4-(4-fluorobenzenesulfonyl)-2-methyl-4,5-dihydro-1,3,4-benzoxadiazepin-5-one, 4-(4-fluorobenzenesulfonyl)-2-methyl-1,3,4-benzoxadiazepin-5-one
| Molecular Formula | C15H11FN2O4S |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 2.3826 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.04236 |
| Heavy Atoms | 23 |
| Complexity | 907.32904 |
Chemical Identifiers
| CAS Number | 865658-76-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)F |
Product Overview
4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one (CAS 865658-76-0), with molecular formula C15H11FN2O4S and molecular weight 334.04 g/mol. IUPAC: 4-(4-fluorophenyl)sulfonyl-2-methyl-1,3,4-benzoxadiazepin-5-one.
Chemical Property Profile of 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
Property Insights of 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
The XLogP value of 2.3826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one. Following Lipinski's Rule of Five, 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one has 0 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 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The CAS number of 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 865658-76-0.
What is the molecular formula of 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular formula of 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is C15H11FN2O4S.
What is the molecular weight of 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular weight of 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 334.04 g/mol.
Where can I buy 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
You can request a quote for 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-fluorophenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.