1-Ethynyl-2,4-difluorobenzene
TL;DR: 1-Ethynyl-2,4-difluorobenzene (CAS 302912-34-1) is a chemical compound with molecular formula C8H4F2 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-2,4-difluorobenzene
Also Known As: 1-Ethynyl-2,4-difluorobenzene, 2,4-Difluorophenylacetylene, Benzene, 1-ethynyl-2,4-difluoro-, 2,4-difluorophenylethyne, 1-ethynyl-2,4-difluoro-benzene
| Molecular Formula | C8H4F2 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.9461 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.0281 |
| Heavy Atoms | 10 |
| Complexity | 283.79935 |
Chemical Identifiers
| CAS Number | 302912-34-1 |
|---|---|
| SMILES | C#CC1=C(C=C(C=C1)F)F |
Product Overview
1-Ethynyl-2,4-difluorobenzene (CAS 302912-34-1), with molecular formula C8H4F2 and molecular weight 138.03 g/mol. IUPAC: 1-ethynyl-2,4-difluorobenzene.
Chemical Property Profile of 1-Ethynyl-2,4-difluorobenzene
Property Insights of 1-Ethynyl-2,4-difluorobenzene
The XLogP value of 1.9461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-2,4-difluorobenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethynyl-2,4-difluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-2,4-difluorobenzene 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 1-Ethynyl-2,4-difluorobenzene?
The CAS number of 1-Ethynyl-2,4-difluorobenzene is 302912-34-1.
What is the molecular formula of 1-Ethynyl-2,4-difluorobenzene?
The molecular formula of 1-Ethynyl-2,4-difluorobenzene is C8H4F2.
What is the molecular weight of 1-Ethynyl-2,4-difluorobenzene?
The molecular weight of 1-Ethynyl-2,4-difluorobenzene is 138.03 g/mol.
Where can I buy 1-Ethynyl-2,4-difluorobenzene?
You can request a quote for 1-Ethynyl-2,4-difluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-2,4-difluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-2,4-difluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.