1-Fluoro-4-methanesulfonyl-2-nitrobenzene
TL;DR: 1-Fluoro-4-methanesulfonyl-2-nitrobenzene (CAS 453-72-5) is a chemical compound with molecular formula C7H6FNO4S and molecular weight 219.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-methylsulfonyl-2-nitrobenzene
Also Known As: 1-fluoro-4-(methylsulfonyl)-2-nitrobenzene, 4-Methylsulfonyl-2-nitrofluorobenzene, 1-fluoro-4-methanesulfonyl-2-nitrobenzene, 4-fluoro-3-nitrophenyl methyl sulfone, 1-fluoro-4-methylsulfonyl-2-nitrobenzene
| Molecular Formula | C7H6FNO4S |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.00015 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 453-72-5 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
| InChIKey | OUSNDSFSTBZESM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-4-methanesulfonyl-2-nitrobenzene (CAS 453-72-5), with molecular formula C7H6FNO4S and molecular weight 219.00 g/mol. IUPAC: 1-fluoro-4-methylsulfonyl-2-nitrobenzene.
Chemical Property Profile of 1-Fluoro-4-methanesulfonyl-2-nitrobenzene
Property Insights of 1-Fluoro-4-methanesulfonyl-2-nitrobenzene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-methanesulfonyl-2-nitrobenzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Fluoro-4-methanesulfonyl-2-nitrobenzene. Following Lipinski's Rule of Five, 1-Fluoro-4-methanesulfonyl-2-nitrobenzene 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 1-Fluoro-4-methanesulfonyl-2-nitrobenzene?
The CAS number of 1-Fluoro-4-methanesulfonyl-2-nitrobenzene is 453-72-5.
What is the molecular formula of 1-Fluoro-4-methanesulfonyl-2-nitrobenzene?
The molecular formula of 1-Fluoro-4-methanesulfonyl-2-nitrobenzene is C7H6FNO4S.
What is the molecular weight of 1-Fluoro-4-methanesulfonyl-2-nitrobenzene?
The molecular weight of 1-Fluoro-4-methanesulfonyl-2-nitrobenzene is 219.00 g/mol.
Where can I buy 1-Fluoro-4-methanesulfonyl-2-nitrobenzene?
You can request a quote for 1-Fluoro-4-methanesulfonyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-4-methanesulfonyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-methanesulfonyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.