3-苯基丙烯-2-醛
TL;DR: 3-苯基丙烯-2-醛 (CAS 104-55-2) is a chemical compound with molecular formula C9H8O and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基丙烯-2-醛
3-phenylprop-2-enal
Also Known As: cinnamaldehyde, trans-Cinnamaldehyde, Cinnamic aldehyde, 3-phenylprop-2-enal, Cinnamal
| Molecular Formula | C9H8O |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.05751 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 104-55-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=O |
| InChIKey | KJPRLNWUNMBNBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基丙烯-2-醛 (CAS 104-55-2), with molecular formula C9H8O and molecular weight 132.06 g/mol. IUPAC: 3-phenylprop-2-enal.
Chemical Property Profile of 3-苯基丙烯-2-醛
Property Insights of 3-苯基丙烯-2-醛
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基丙烯-2-醛. With a topological polar surface area (TPSA) of 17.1 Ų, 3-苯基丙烯-2-醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基丙烯-2-醛 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-苯基丙烯-2-醛?
The CAS number of 3-苯基丙烯-2-醛 is 104-55-2.
What is the molecular formula of 3-苯基丙烯-2-醛?
The molecular formula of 3-苯基丙烯-2-醛 is C9H8O.
What is the molecular weight of 3-苯基丙烯-2-醛?
The molecular weight of 3-苯基丙烯-2-醛 is 132.06 g/mol.
Where can I buy 3-苯基丙烯-2-醛?
You can request a quote for 3-苯基丙烯-2-醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基丙烯-2-醛?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基丙烯-2-醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.