1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene
TL;DR: 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene (CAS 3311-99-7) is a chemical compound with molecular formula C16H16ClF and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-1-phenylbutyl)-4-fluorobenzene
Also Known As: 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene, 1-(4-chloro-1-phenyl-butyl)-4-fluoro-benzene, 1-chloro-4-(4-fluorophenyl)-4-phenylbutane, N-<2-Chlor-aethyl>-N'-<5-nitro-thiazol-2-yl>-harnstoff, 221-997-0
| Molecular Formula | C16H16ClF |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.09247 |
| Heavy Atoms | 18 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 3311-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCCCl)C2=CC=C(C=C2)F |
| InChIKey | LJSMZTZPLOWAHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene (CAS 3311-99-7), with molecular formula C16H16ClF and molecular weight 262.09 g/mol. IUPAC: 1-(4-chloro-1-phenylbutyl)-4-fluorobenzene.
Chemical Property Profile of 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene
Property Insights of 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene
The XLogP value of 5.0 indicates that 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene 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 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene?
The CAS number of 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene is 3311-99-7.
What is the molecular formula of 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene?
The molecular formula of 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene is C16H16ClF.
What is the molecular weight of 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene?
The molecular weight of 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene is 262.09 g/mol.
Where can I buy 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene?
You can request a quote for 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-1-phenylbutyl)-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.