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2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene
TL;DR: 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene (CAS 477888-74-7) is a chemical compound with molecular formula C12H7BrFNO2S and molecular weight 326.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-fluorophenyl)sulfanyl-4-nitrobenzene
Also Known As: 2-bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene, 2-bromo-1-(4-fluorophenyl)sulfanyl-4-nitrobenzene, 2-bromo-1-(4-fluorophenyl)sulfanyl-4-nitro-benzene, C12H7BrFNO2S
| Molecular Formula | C12H7BrFNO2S |
|---|---|
| Molecular Weight | 326.94 g/mol |
| LogP | 4.6476 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.9365 |
| Heavy Atoms | 18 |
| Complexity | 589.13135 |
Chemical Identifiers
| CAS Number | 477888-74-7 |
|---|---|
| SMILES | C1=CC(=CC=C1F)SC2=C(C=C(C=C2)[N+](=O)[O-])Br |
Product Overview
2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene (CAS 477888-74-7), with molecular formula C12H7BrFNO2S and molecular weight 326.94 g/mol. IUPAC: 2-bromo-1-(4-fluorophenyl)sulfanyl-4-nitrobenzene.
Chemical Property Profile of 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene
Property Insights of 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene
The XLogP value of 4.6476 indicates that 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene has 0 hydrogen bond donor(s) and 3 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 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene?
The CAS number of 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene is 477888-74-7.
What is the molecular formula of 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene?
The molecular formula of 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene is C12H7BrFNO2S.
What is the molecular weight of 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene?
The molecular weight of 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene is 326.94 g/mol.
Where can I buy 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene?
You can request a quote for 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-[(4-fluorophenyl)sulfanyl]-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.