I+/-1-丙烯-1-基苯乙醛
TL;DR: I+/-1-丙烯-1-基苯乙醛 (CAS 5729-50-0) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
I+/-1-丙烯-1-基苯乙醛
2-phenylpent-3-enal
Also Known As: 2-Phenylpent-3-enal, Benzeneacetaldehyde, a-1-propen-1-yl-, I+/--1-Propen-1-ylbenzeneacetaldehyde
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 5729-50-0 |
|---|---|
| SMILES | CC=CC(C=O)C1=CC=CC=C1 |
| InChIKey | ATYUEOYJIQYTAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
I+/-1-丙烯-1-基苯乙醛 (CAS 5729-50-0), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 2-phenylpent-3-enal.
Chemical Property Profile of I+/-1-丙烯-1-基苯乙醛
Property Insights of I+/-1-丙烯-1-基苯乙醛
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for I+/-1-丙烯-1-基苯乙醛. With a topological polar surface area (TPSA) of 17.1 Ų, I+/-1-丙烯-1-基苯乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, I+/-1-丙烯-1-基苯乙醛 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 I+/-1-丙烯-1-基苯乙醛?
The CAS number of I+/-1-丙烯-1-基苯乙醛 is 5729-50-0.
What is the molecular formula of I+/-1-丙烯-1-基苯乙醛?
The molecular formula of I+/-1-丙烯-1-基苯乙醛 is C11H12O.
What is the molecular weight of I+/-1-丙烯-1-基苯乙醛?
The molecular weight of I+/-1-丙烯-1-基苯乙醛 is 160.09 g/mol.
Where can I buy I+/-1-丙烯-1-基苯乙醛?
You can request a quote for I+/-1-丙烯-1-基苯乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I+/-1-丙烯-1-基苯乙醛?
Yes, KEHONG BIO provides custom synthesis services for I+/-1-丙烯-1-基苯乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.