丙酸桂酯
TL;DR: 丙酸桂酯 (CAS 103-56-0) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸桂酯
3-phenylprop-2-enyl propanoate
Also Known As: Cinnamyl propionate, Cinnamyl propanoate, 3-phenylallyl propanoate, (E)-cinnamyl propionate, 3-Phenylallyl propionate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 103-56-0 |
|---|---|
| SMILES | CCC(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | KGDJMNKPBUNHGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸桂酯 (CAS 103-56-0), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-phenylprop-2-enyl propanoate.
Chemical Property Profile of 丙酸桂酯
Property Insights of 丙酸桂酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸桂酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸桂酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸桂酯 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 丙酸桂酯?
The CAS number of 丙酸桂酯 is 103-56-0.
What is the molecular formula of 丙酸桂酯?
The molecular formula of 丙酸桂酯 is C12H14O2.
What is the molecular weight of 丙酸桂酯?
The molecular weight of 丙酸桂酯 is 190.10 g/mol.
Where can I buy 丙酸桂酯?
You can request a quote for 丙酸桂酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸桂酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸桂酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.