咖啡酸乙酯
TL;DR: 咖啡酸乙酯 (CAS 68137-08-6) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咖啡酸乙酯
ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Ethyl caffeate, ethyl trans-caffeate, Ethyl 3,4-dihydroxycinnamate, Caffeic acid ethyl ester, Ethyl 3-(3,4-dihydroxyphenyl)acrylate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6741 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 382.17435 |
Chemical Identifiers
| CAS Number | 68137-08-6 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O |
Product Overview
咖啡酸乙酯 (CAS 68137-08-6), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 咖啡酸乙酯
Property Insights of 咖啡酸乙酯
The XLogP value of 1.6741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 咖啡酸乙酯. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 咖啡酸乙酯. Following Lipinski's Rule of Five, 咖啡酸乙酯 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 咖啡酸乙酯?
The CAS number of 咖啡酸乙酯 is 68137-08-6.
What is the molecular formula of 咖啡酸乙酯?
The molecular formula of 咖啡酸乙酯 is C11H12O4.
What is the molecular weight of 咖啡酸乙酯?
The molecular weight of 咖啡酸乙酯 is 208.07 g/mol.
Where can I buy 咖啡酸乙酯?
You can request a quote for 咖啡酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咖啡酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 咖啡酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.