苯丙醛
TL;DR: 苯丙醛 (CAS 104-53-0) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯丙醛
3-phenylpropanal
Also Known As: 3-Phenylpropanal, Benzenepropanal, 3-Phenylpropionaldehyde, HYDROCINNAMALDEHYDE, Dihydrocinnamaldehyde
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 92.0 |
| Melting Point | 47 °C |
| Boiling Point | 97.00 to 98.00 °C. @ 12.00 mm Hg |
| Density | 1.008-1.018 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.518-1.528 |
Chemical Identifiers
| CAS Number | 104-53-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC=O |
| InChIKey | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯丙醛 (CAS 104-53-0), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 3-phenylpropanal.
Chemical Property Profile of 苯丙醛
Property Insights of 苯丙醛
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯丙醛. With a topological polar surface area (TPSA) of 17.1 Ų, 苯丙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯丙醛 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 苯丙醛?
The CAS number of 苯丙醛 is 104-53-0.
What is the molecular formula of 苯丙醛?
The molecular formula of 苯丙醛 is C9H10O.
What is the molecular weight of 苯丙醛?
The molecular weight of 苯丙醛 is 134.07 g/mol.
Where can I buy 苯丙醛?
You can request a quote for 苯丙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯丙醛?
Yes, KEHONG BIO provides custom synthesis services for 苯丙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.