4-Hydroxy-2-butynal
TL;DR: 4-Hydroxy-2-butynal (CAS 50560-69-5) is a chemical compound with molecular formula C4H4O2 and molecular weight 84.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybut-2-ynal
Also Known As: 4-hydroxybut-2-ynal, 4-Hydroxy-2-butynal, 4-hydroxy-but-2-ynal, J2.739.319E, RefChem:99149
| Molecular Formula | C4H4O2 |
|---|---|
| Molecular Weight | 84.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.021126 |
| Heavy Atoms | 6 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 50560-69-5 |
|---|---|
| SMILES | C(C#CC=O)O |
| InChIKey | QAPQYLWHUDXNHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2-butynal (CAS 50560-69-5), with molecular formula C4H4O2 and molecular weight 84.02 g/mol. IUPAC: 4-hydroxybut-2-ynal.
Chemical Property Profile of 4-Hydroxy-2-butynal
Property Insights of 4-Hydroxy-2-butynal
The XLogP value of -0.5 indicates that 4-Hydroxy-2-butynal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-2-butynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-butynal has 1 hydrogen bond donor(s) and 2 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 4-Hydroxy-2-butynal?
The CAS number of 4-Hydroxy-2-butynal is 50560-69-5.
What is the molecular formula of 4-Hydroxy-2-butynal?
The molecular formula of 4-Hydroxy-2-butynal is C4H4O2.
What is the molecular weight of 4-Hydroxy-2-butynal?
The molecular weight of 4-Hydroxy-2-butynal is 84.02 g/mol.
Where can I buy 4-Hydroxy-2-butynal?
You can request a quote for 4-Hydroxy-2-butynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-butynal?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-butynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.