3-Butenal
TL;DR: 3-Butenal (CAS 7319-38-2) is a chemical compound with molecular formula C4H6O and molecular weight 70.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-enal
Also Known As: 3-Butenal, but-3-enal, Vinylacetaldehyde, 2-Vinylacetaldehyde, 3-Butene-1-one
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 70.04186 |
| Heavy Atoms | 5 |
| Complexity | 38.0 |
Chemical Identifiers
| CAS Number | 7319-38-2 |
|---|---|
| SMILES | C=CCC=O |
| InChIKey | IWJMQXOBCQTQCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butenal (CAS 7319-38-2), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: but-3-enal.
Chemical Property Profile of 3-Butenal
Property Insights of 3-Butenal
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenal 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 3-Butenal?
The CAS number of 3-Butenal is 7319-38-2.
What is the molecular formula of 3-Butenal?
The molecular formula of 3-Butenal is C4H6O.
What is the molecular weight of 3-Butenal?
The molecular weight of 3-Butenal is 70.04 g/mol.
Where can I buy 3-Butenal?
You can request a quote for 3-Butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.