1,3-Butadiyne
TL;DR: 1,3-Butadiyne (CAS 460-12-8) is a chemical compound with molecular formula C4H2 and molecular weight 50.01565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
buta-1,3-diyne
Also Known As: 1,3-Butadiyne, Diacetylene, buta-1,3-diyne, Biacetylene, Biethynyl
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H2 |
| Molecular Weight | 50.01565 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 50.01565 Da |
| Heavy Atoms | 4 |
| Complexity | 67.0 |
| SMILES | C#CC#C |
| InChIKey | LLCSWKVOHICRDD-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Butadiyne is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A polymer intermediate supplied by CoreyChem, 1,3-Butadiyne (CAS 460-12-8) has the molecular formula C4H2 and a molecular weight of 50.02 g/mol. Synonyms include 1,3-Butadiyne and Diacetylene.
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 1,3-Butadiyne
Property Insights of 1,3-Butadiyne
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiyne 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 1,3-Butadiyne?
The CAS number of 1,3-Butadiyne is 460-12-8.
What is the molecular formula of 1,3-Butadiyne?
The molecular formula of 1,3-Butadiyne is C4H2.
What is the molecular weight of 1,3-Butadiyne?
The molecular weight of 1,3-Butadiyne is 50.01565 g/mol.
What are the applications of 1,3-Butadiyne?
1,3-Butadiyne is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,3-Butadiyne?
You can request a quote for 1,3-Butadiyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butadiyne?
Yes, CoreyChem provides custom synthesis services for 1,3-Butadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.