1,3-Butadiyne, 1-fluoro-
TL;DR: 1,3-Butadiyne, 1-fluoro- (CAS 74706-98-2) is a chemical compound with molecular formula C4HF and molecular weight 68.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluorobuta-1,3-diyne
Also Known As: fluorodiacetylene, 1-Fluorobutadiyne, 1,3-Butadiyne, 1-fluoro-, 1-fluorobuta-1,3-diyne, 1-fluoro-1,3-butadiyne
| Molecular Formula | C4HF |
|---|---|
| Molecular Weight | 68.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 68.006226 |
| Heavy Atoms | 5 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 74706-98-2 |
|---|---|
| SMILES | C#CC#CF |
| InChIKey | XLMVPPCMRBLRSB-UHFFFAOYSA-N |
Product Overview
1,3-Butadiyne, 1-fluoro- (CAS 74706-98-2), with molecular formula C4HF and molecular weight 68.01 g/mol. IUPAC: 1-fluorobuta-1,3-diyne.
Chemical Property Profile of 1,3-Butadiyne, 1-fluoro-
Property Insights of 1,3-Butadiyne, 1-fluoro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butadiyne, 1-fluoro-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiyne, 1-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiyne, 1-fluoro- 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 1,3-Butadiyne, 1-fluoro-?
The CAS number of 1,3-Butadiyne, 1-fluoro- is 74706-98-2.
What is the molecular formula of 1,3-Butadiyne, 1-fluoro-?
The molecular formula of 1,3-Butadiyne, 1-fluoro- is C4HF.
What is the molecular weight of 1,3-Butadiyne, 1-fluoro-?
The molecular weight of 1,3-Butadiyne, 1-fluoro- is 68.01 g/mol.
Where can I buy 1,3-Butadiyne, 1-fluoro-?
You can request a quote for 1,3-Butadiyne, 1-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadiyne, 1-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadiyne, 1-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.