But-3-ynal
TL;DR: But-3-ynal (CAS 51583-48-3) is a chemical compound with molecular formula C4H4O and molecular weight 68.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ynal
Also Known As: But-3-ynal, 3-butynal, 3-Butyn-1-al, propargyl aldehyde, 3-butyne-1-one
| Molecular Formula | C4H4O |
|---|---|
| Molecular Weight | 68.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 68.026215 |
| Heavy Atoms | 5 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 51583-48-3 |
|---|---|
| SMILES | C#CCC=O |
| InChIKey | OGQNOIVDVXRWRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
But-3-ynal (CAS 51583-48-3), with molecular formula C4H4O and molecular weight 68.03 g/mol. IUPAC: but-3-ynal.
Chemical Property Profile of But-3-ynal
Property Insights of But-3-ynal
The XLogP value of -0.1 indicates that But-3-ynal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, But-3-ynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-3-ynal 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 But-3-ynal?
The CAS number of But-3-ynal is 51583-48-3.
What is the molecular formula of But-3-ynal?
The molecular formula of But-3-ynal is C4H4O.
What is the molecular weight of But-3-ynal?
The molecular weight of But-3-ynal is 68.03 g/mol.
Where can I buy But-3-ynal?
You can request a quote for But-3-ynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-3-ynal?
Yes, KEHONG BIO provides custom synthesis services for But-3-ynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.