1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene
TL;DR: 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene (CAS 577-99-1) is a chemical compound with molecular formula C12H7FN2O4S and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)sulfanyl-2,4-dinitrobenzene
Also Known As: 1-(4-fluorophenyl)sulfanyl-2,4-dinitrobenzene, 1-[(4-fluorophenyl)thio]-2,4-dinitro-benzene
| Molecular Formula | C12H7FN2O4S |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 3.7933 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.01105 |
| Heavy Atoms | 20 |
| Complexity | 675.6576 |
Chemical Identifiers
| CAS Number | 577-99-1 |
|---|---|
| SMILES | C1=CC(=CC=C1F)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene (CAS 577-99-1), with molecular formula C12H7FN2O4S and molecular weight 294.01 g/mol. IUPAC: 1-(4-fluorophenyl)sulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene
Property Insights of 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene
The XLogP value of 3.7933 indicates that 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene 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-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene?
The CAS number of 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene is 577-99-1.
What is the molecular formula of 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene?
The molecular formula of 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene is C12H7FN2O4S.
What is the molecular weight of 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene?
The molecular weight of 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene is 294.01 g/mol.
Where can I buy 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene?
You can request a quote for 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)sulfanyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.