3-Phenyl-2-butenal
TL;DR: 3-Phenyl-2-butenal (CAS 1196-67-4) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylbut-2-enal
Also Known As: 3-phenylbut-2-enal, 3-Phenyl-2-butenal, 2-Butenal, 3-phenyl-, beta-Methylcinnamaldehyde, (E)-3-Phenyl-2-butenal
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 1196-67-4 |
|---|---|
| SMILES | CC(=CC=O)C1=CC=CC=C1 |
| InChIKey | IEARORYJISZKGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-2-butenal (CAS 1196-67-4), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: 3-phenylbut-2-enal.
Chemical Property Profile of 3-Phenyl-2-butenal
Property Insights of 3-Phenyl-2-butenal
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-butenal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Phenyl-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2-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-Phenyl-2-butenal?
The CAS number of 3-Phenyl-2-butenal is 1196-67-4.
What is the molecular formula of 3-Phenyl-2-butenal?
The molecular formula of 3-Phenyl-2-butenal is C10H10O.
What is the molecular weight of 3-Phenyl-2-butenal?
The molecular weight of 3-Phenyl-2-butenal is 146.07 g/mol.
Where can I buy 3-Phenyl-2-butenal?
You can request a quote for 3-Phenyl-2-butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-butenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.