Ethyl 3-(3,4-dihydroxyphenyl)propionate
TL;DR: Ethyl 3-(3,4-dihydroxyphenyl)propionate (CAS 3967-57-5) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,4-dihydroxyphenyl)propanoate
Also Known As: Ethyl hydrocaffeate, Ethyl dihydrocaffeate, ethyl 3-(3,4-dihydroxyphenyl)propanoate, 3, ethyl ester, Ethyl 3-(3,4-dihydroxyphenyl)propionate
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3967-57-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC(=C(C=C1)O)O |
| InChIKey | MHJZKZOOQLSKTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(3,4-dihydroxyphenyl)propionate (CAS 3967-57-5), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: ethyl 3-(3,4-dihydroxyphenyl)propanoate.
Chemical Property Profile of Ethyl 3-(3,4-dihydroxyphenyl)propionate
Property Insights of Ethyl 3-(3,4-dihydroxyphenyl)propionate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3,4-dihydroxyphenyl)propionate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3,4-dihydroxyphenyl)propionate. Following Lipinski's Rule of Five, Ethyl 3-(3,4-dihydroxyphenyl)propionate 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 Ethyl 3-(3,4-dihydroxyphenyl)propionate?
The CAS number of Ethyl 3-(3,4-dihydroxyphenyl)propionate is 3967-57-5.
What is the molecular formula of Ethyl 3-(3,4-dihydroxyphenyl)propionate?
The molecular formula of Ethyl 3-(3,4-dihydroxyphenyl)propionate is C11H14O4.
What is the molecular weight of Ethyl 3-(3,4-dihydroxyphenyl)propionate?
The molecular weight of Ethyl 3-(3,4-dihydroxyphenyl)propionate is 210.09 g/mol.
Where can I buy Ethyl 3-(3,4-dihydroxyphenyl)propionate?
You can request a quote for Ethyl 3-(3,4-dihydroxyphenyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3,4-dihydroxyphenyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3,4-dihydroxyphenyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.