没食子酸乙酯
TL;DR: 没食子酸乙酯 (CAS 831-61-8) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
没食子酸乙酯
ethyl 3,4,5-trihydroxybenzoate
Also Known As: ETHYL GALLATE, Ethyl 3,4,5-trihydroxybenzoate, Phyllemblin, Gallic acid ethyl ester, Ethylgallate
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| Melting Point | 160 - 162 °C |
Chemical Identifiers
| CAS Number | 831-61-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
没食子酸乙酯 (CAS 831-61-8), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: ethyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 没食子酸乙酯
Property Insights of 没食子酸乙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 没食子酸乙酯. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 没食子酸乙酯. Following Lipinski's Rule of Five, 没食子酸乙酯 has 3 hydrogen bond donor(s) and 5 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 没食子酸乙酯?
The CAS number of 没食子酸乙酯 is 831-61-8.
What is the molecular formula of 没食子酸乙酯?
The molecular formula of 没食子酸乙酯 is C9H10O5.
What is the molecular weight of 没食子酸乙酯?
The molecular weight of 没食子酸乙酯 is 198.05 g/mol.
Where can I buy 没食子酸乙酯?
You can request a quote for 没食子酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 没食子酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 没食子酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.