原儿茶酸乙酯
TL;DR: 原儿茶酸乙酯 (CAS 3943-89-3) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原儿茶酸乙酯
ethyl 3,4-dihydroxybenzoate
Also Known As: Ethyl 3,4-dihydroxybenzoate, Ethyl protocatechuate, Protocatechuic acid ethyl ester, EDHB, 3,4-Dihydroxybenzoic Acid Ethyl Ester
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 3943-89-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | KBPUBCVJHFXPOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
原儿茶酸乙酯 (CAS 3943-89-3), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: ethyl 3,4-dihydroxybenzoate.
Chemical Property Profile of 原儿茶酸乙酯
Property Insights of 原儿茶酸乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 原儿茶酸乙酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 原儿茶酸乙酯. Following Lipinski's Rule of Five, 原儿茶酸乙酯 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 原儿茶酸乙酯?
The CAS number of 原儿茶酸乙酯 is 3943-89-3.
What is the molecular formula of 原儿茶酸乙酯?
The molecular formula of 原儿茶酸乙酯 is C9H10O4.
What is the molecular weight of 原儿茶酸乙酯?
The molecular weight of 原儿茶酸乙酯 is 182.06 g/mol.
Where can I buy 原儿茶酸乙酯?
You can request a quote for 原儿茶酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原儿茶酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 原儿茶酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.