Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
TL;DR: Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 130734-47-3) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Benzyl caffeate, Caffeic Acid Benzyl Ester, (E)-Benzyl 3-(3,4-dihydroxyphenyl)acrylate, benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate, NCI60_023208
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 130734-47-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O |
| InChIKey | WWVKQTNONPWVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 130734-47-3), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Property Insights of Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
The XLogP value of 3.1 indicates that Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate has 2 hydrogen bond donor(s) and 4 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 Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The CAS number of Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is 130734-47-3.
What is the molecular formula of Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The molecular formula of Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is C16H14O4.
What is the molecular weight of Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The molecular weight of Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is 270.09 g/mol.
Where can I buy Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
You can request a quote for Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-(3,4-dihydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.