4-Bromo-1-ethynyl-2-fluorobenzene
TL;DR: 4-Bromo-1-ethynyl-2-fluorobenzene (CAS 302912-33-0) is a chemical compound with molecular formula C8H4BrF and molecular weight 197.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-ethynyl-2-fluorobenzene
Also Known As: 4-bromo-1-ethynyl-2-fluorobenzene, 4-Bromo-2-fluorophenylacetylene, Benzene, 4-bromo-1-ethynyl-2-fluoro-, 4-bromo-1-ethynyl-2-fluoro-benzene, Benzene,4-bromo-1-ethynyl-2-fluoro-
| Molecular Formula | C8H4BrF |
|---|---|
| Molecular Weight | 197.95 g/mol |
| LogP | 2.5695 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.94804 |
| Heavy Atoms | 10 |
| Complexity | 285.79935 |
Chemical Identifiers
| CAS Number | 302912-33-0 |
|---|---|
| SMILES | C#CC1=C(C=C(C=C1)Br)F |
Product Overview
4-Bromo-1-ethynyl-2-fluorobenzene (CAS 302912-33-0), with molecular formula C8H4BrF and molecular weight 197.95 g/mol. IUPAC: 4-bromo-1-ethynyl-2-fluorobenzene.
Chemical Property Profile of 4-Bromo-1-ethynyl-2-fluorobenzene
Property Insights of 4-Bromo-1-ethynyl-2-fluorobenzene
The XLogP value of 2.5695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-ethynyl-2-fluorobenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Bromo-1-ethynyl-2-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-ethynyl-2-fluorobenzene has 0 hydrogen bond donor(s) and 0 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-Bromo-1-ethynyl-2-fluorobenzene?
The CAS number of 4-Bromo-1-ethynyl-2-fluorobenzene is 302912-33-0.
What is the molecular formula of 4-Bromo-1-ethynyl-2-fluorobenzene?
The molecular formula of 4-Bromo-1-ethynyl-2-fluorobenzene is C8H4BrF.
What is the molecular weight of 4-Bromo-1-ethynyl-2-fluorobenzene?
The molecular weight of 4-Bromo-1-ethynyl-2-fluorobenzene is 197.95 g/mol.
Where can I buy 4-Bromo-1-ethynyl-2-fluorobenzene?
You can request a quote for 4-Bromo-1-ethynyl-2-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-ethynyl-2-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-ethynyl-2-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.