2-Butynal
TL;DR: 2-Butynal (CAS 1119-19-3) is a chemical compound with molecular formula CC#CC=O and molecular weight 68.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-ynal
Also Known As: But-2-ynal, 2-Butynal, Tetrolaldehyde, butaline, 1-Lithiobutin
| Molecular Formula | CC#CC=O |
|---|---|
| Molecular Weight | 68.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 68.026215 |
| Heavy Atoms | 5 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 1119-19-3 |
|---|---|
| SMILES | CC#CC=O |
| InChIKey | REJPDMLLCDXIOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butynal (CAS 1119-19-3), with molecular formula CC#CC=O and molecular weight 68.03 g/mol. IUPAC: but-2-ynal.
Chemical Property Profile of 2-Butynal
Property Insights of 2-Butynal
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butynal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butynal 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 2-Butynal?
The CAS number of 2-Butynal is 1119-19-3.
What is the molecular formula of 2-Butynal?
The molecular formula of 2-Butynal is CC#CC=O.
What is the molecular weight of 2-Butynal?
The molecular weight of 2-Butynal is 68.03 g/mol.
Where can I buy 2-Butynal?
You can request a quote for 2-Butynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butynal?
Yes, KEHONG BIO provides custom synthesis services for 2-Butynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.