4-Bromophenyl 4-fluorobenzyl sulfide
TL;DR: 4-Bromophenyl 4-fluorobenzyl sulfide (CAS 3801-46-5) is a chemical compound with molecular formula C13H10BrFS and molecular weight 295.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene
Also Known As: 4-bromophenyl 4-fluorobenzyl sulfide, (4-bromophenyl)(4-fluorobenzyl)sulfane, 4-Bromophenyl(4-fluorobenzyl) sulfide, (4-Bromophenyl)(4-fluorobenzyl) sulfide, 1-bromo-4-[(4-fluorobenzyl)sulfanyl]benzene
| Molecular Formula | C13H10BrFS |
|---|---|
| Molecular Weight | 295.97 g/mol |
| LogP | 4.8805 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.96707 |
| Heavy Atoms | 16 |
| Complexity | 404.86374 |
Chemical Identifiers
| CAS Number | 3801-46-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)Br)F |
Product Overview
4-Bromophenyl 4-fluorobenzyl sulfide (CAS 3801-46-5), with molecular formula C13H10BrFS and molecular weight 295.97 g/mol. IUPAC: 1-bromo-4-[(4-fluorophenyl)methylsulfanyl]benzene.
Chemical Property Profile of 4-Bromophenyl 4-fluorobenzyl sulfide
Property Insights of 4-Bromophenyl 4-fluorobenzyl sulfide
The XLogP value of 4.8805 indicates that 4-Bromophenyl 4-fluorobenzyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Bromophenyl 4-fluorobenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl 4-fluorobenzyl sulfide has 0 hydrogen bond donor(s) and 1 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-Bromophenyl 4-fluorobenzyl sulfide?
The CAS number of 4-Bromophenyl 4-fluorobenzyl sulfide is 3801-46-5.
What is the molecular formula of 4-Bromophenyl 4-fluorobenzyl sulfide?
The molecular formula of 4-Bromophenyl 4-fluorobenzyl sulfide is C13H10BrFS.
What is the molecular weight of 4-Bromophenyl 4-fluorobenzyl sulfide?
The molecular weight of 4-Bromophenyl 4-fluorobenzyl sulfide is 295.97 g/mol.
Where can I buy 4-Bromophenyl 4-fluorobenzyl sulfide?
You can request a quote for 4-Bromophenyl 4-fluorobenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl 4-fluorobenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl 4-fluorobenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.