1,2-Butadienal
TL;DR: 1,2-Butadienal (CAS 53268-92-1) 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.
buta-2,3-dienal
Also Known As: 1,2-Butadienal, buta-2,3-dienal, 2,3-Butadienal, 2,3-Butanedienal, Butane-2,3-dienal
| 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 | 67.0 |
Chemical Identifiers
| CAS Number | 53268-92-1 |
|---|---|
| SMILES | C=C=CC=O |
| InChIKey | OYBQILSQCOWJHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Butadienal (CAS 53268-92-1), with molecular formula C4H4O and molecular weight 68.03 g/mol. IUPAC: buta-2,3-dienal.
Chemical Property Profile of 1,2-Butadienal
Property Insights of 1,2-Butadienal
The XLogP value of -0.1 indicates that 1,2-Butadienal 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, 1,2-Butadienal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Butadienal 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 1,2-Butadienal?
The CAS number of 1,2-Butadienal is 53268-92-1.
What is the molecular formula of 1,2-Butadienal?
The molecular formula of 1,2-Butadienal is C4H4O.
What is the molecular weight of 1,2-Butadienal?
The molecular weight of 1,2-Butadienal is 68.03 g/mol.
Where can I buy 1,2-Butadienal?
You can request a quote for 1,2-Butadienal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Butadienal?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Butadienal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.