![1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene structure](/static/products/4778/477860-08-5.webp)
1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene
TL;DR: 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene (CAS 477860-08-5) is a chemical compound with molecular formula C19H18BrF and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene
Also Known As: 1-[2-(4-bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene, 1-[2-(4-bromophenyl)ethynyl]-2-fluoro-4-pentyl-benzene, 1-2-(4-Bromophenyl)ethynyl-2-fluoro-4-pentylbenzene, C19H18BrF
| Molecular Formula | C19H18BrF |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 5.7207 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0576 |
| Heavy Atoms | 21 |
| Complexity | 647.50195 |
Chemical Identifiers
| CAS Number | 477860-08-5 |
|---|---|
| SMILES | CCCCCC1=CC(=C(C=C1)C#CC2=CC=C(C=C2)Br)F |
Product Overview
1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene (CAS 477860-08-5), with molecular formula C19H18BrF and molecular weight 344.06 g/mol. IUPAC: 1-[2-(4-bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene.
Chemical Property Profile of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene
Property Insights of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene
The XLogP value of 5.7207 indicates that 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene 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-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene?
The CAS number of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene is 477860-08-5.
What is the molecular formula of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene?
The molecular formula of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene is C19H18BrF.
What is the molecular weight of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene?
The molecular weight of 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene is 344.06 g/mol.
Where can I buy 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene?
You can request a quote for 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Bromophenyl)ethynyl]-2-fluoro-4-pentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.