1-Butyne
TL;DR: 1-Butyne (CAS 107-00-6) is a chemical compound with molecular formula C4H6 and molecular weight 54.04695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-1-yne
Also Known As: 1-BUTYNE, but-1-yne, Ethylacetylene, Ethyl acetylene, Ethylethyne
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6 |
| Molecular Weight | 54.04695 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 54.04695 Da |
| Heavy Atoms | 4 |
| Complexity | 35.0 |
| SMILES | CCC#C |
| InChIKey | KDKYADYSIPSCCQ-UHFFFAOYSA-N |
Product Description
Applications: 1-Butyne is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Butyne (CAS 107-00-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 1-Butyne (CAS 107-00-6) has the molecular formula C4H6 and a molecular weight of 54.05 g/mol. It is also known as 1-BUTYNE and but-1-yne.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Butyne
Property Insights of 1-Butyne
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyne 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
What is the CAS number of 1-Butyne?
The CAS number of 1-Butyne is 107-00-6.
What is the molecular formula of 1-Butyne?
The molecular formula of 1-Butyne is C4H6.
What is the molecular weight of 1-Butyne?
The molecular weight of 1-Butyne is 54.04695 g/mol.
What are the applications of 1-Butyne?
1-Butyne is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Butyne (CAS 107-00-6) with custom synthesis...
Where can I buy 1-Butyne?
You can request a quote for 1-Butyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyne?
Yes, CoreyChem provides custom synthesis services for 1-Butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.