3-苯基丙烯酸-3-苯丙酯
TL;DR: 3-苯基丙烯酸-3-苯丙酯 (CAS 122-68-9) is a chemical compound with molecular formula C18H18O2 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基丙烯酸-3-苯丙酯
3-phenylpropyl 3-phenylprop-2-enoate
Also Known As: 3-Phenylpropyl cinnamate, Hydrocinnamyl cinnamate, Phenylpropyl cinnamate, 3-Phenylpropylcinnamate, Zimtsaurephenylpropylester
| Molecular Formula | C18H18O2 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.13068 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 122-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)C=CC2=CC=CC=C2 |
| InChIKey | LYRAHIUDQRJGGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基丙烯酸-3-苯丙酯 (CAS 122-68-9), with molecular formula C18H18O2 and molecular weight 266.13 g/mol. IUPAC: 3-phenylpropyl 3-phenylprop-2-enoate.
Chemical Property Profile of 3-苯基丙烯酸-3-苯丙酯
Property Insights of 3-苯基丙烯酸-3-苯丙酯
The XLogP value of 4.9 indicates that 3-苯基丙烯酸-3-苯丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-苯基丙烯酸-3-苯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基丙烯酸-3-苯丙酯 has 0 hydrogen bond donor(s) and 2 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-苯基丙烯酸-3-苯丙酯?
The CAS number of 3-苯基丙烯酸-3-苯丙酯 is 122-68-9.
What is the molecular formula of 3-苯基丙烯酸-3-苯丙酯?
The molecular formula of 3-苯基丙烯酸-3-苯丙酯 is C18H18O2.
What is the molecular weight of 3-苯基丙烯酸-3-苯丙酯?
The molecular weight of 3-苯基丙烯酸-3-苯丙酯 is 266.13 g/mol.
Where can I buy 3-苯基丙烯酸-3-苯丙酯?
You can request a quote for 3-苯基丙烯酸-3-苯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基丙烯酸-3-苯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基丙烯酸-3-苯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.