Caffeic Acid 3,4-Dihydroxyphenethyl Ester
TL;DR: Caffeic Acid 3,4-Dihydroxyphenethyl Ester (CAS 329685-54-3) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Teucrol, 9'-Decarboxyrosmarinic acid, Caffeic acid 3,4-Dihydroxyphenethyl ester, 3,4-Dihydroxy-beta-phenylethyl caffeate, caffeic acid 3,4-dihydroxy-phenethyl ester
| Molecular Formula | C17H16O6 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.0947 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 329685-54-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O |
| InChIKey | CCHKZGVRIOKSEE-ZZXKWVIFSA-N |
Product Overview
Caffeic Acid 3,4-Dihydroxyphenethyl Ester (CAS 329685-54-3), with molecular formula C17H16O6 and molecular weight 316.09 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Caffeic Acid 3,4-Dihydroxyphenethyl Ester
Property Insights of Caffeic Acid 3,4-Dihydroxyphenethyl Ester
The XLogP value of 3.5 indicates that Caffeic Acid 3,4-Dihydroxyphenethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeic Acid 3,4-Dihydroxyphenethyl Ester. Following Lipinski's Rule of Five, Caffeic Acid 3,4-Dihydroxyphenethyl Ester has 4 hydrogen bond donor(s) and 6 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 Caffeic Acid 3,4-Dihydroxyphenethyl Ester?
The CAS number of Caffeic Acid 3,4-Dihydroxyphenethyl Ester is 329685-54-3.
What is the molecular formula of Caffeic Acid 3,4-Dihydroxyphenethyl Ester?
The molecular formula of Caffeic Acid 3,4-Dihydroxyphenethyl Ester is C17H16O6.
What is the molecular weight of Caffeic Acid 3,4-Dihydroxyphenethyl Ester?
The molecular weight of Caffeic Acid 3,4-Dihydroxyphenethyl Ester is 316.09 g/mol.
Where can I buy Caffeic Acid 3,4-Dihydroxyphenethyl Ester?
You can request a quote for Caffeic Acid 3,4-Dihydroxyphenethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeic Acid 3,4-Dihydroxyphenethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Caffeic Acid 3,4-Dihydroxyphenethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.