Ethyl 2,5-dihydroxybenzoate
TL;DR: Ethyl 2,5-dihydroxybenzoate (CAS 3943-91-7) 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.
ethyl 2,5-dihydroxybenzoate
Also Known As: Ethyl 2,5-dihydroxybenzoate, ethyl gentisate, Ethylgentisate, ethyl 25-Dihydroxybenzoate, Ethyl2,5-dihydroxybenzoate
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 2.6 |
| 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 | 3943-91-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)O)O |
| InChIKey | GCUPAENRSCPHBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,5-dihydroxybenzoate (CAS 3943-91-7), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: ethyl 2,5-dihydroxybenzoate.
Chemical Property Profile of Ethyl 2,5-dihydroxybenzoate
Property Insights of Ethyl 2,5-dihydroxybenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,5-dihydroxybenzoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,5-dihydroxybenzoate. Following Lipinski's Rule of Five, Ethyl 2,5-dihydroxybenzoate 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 2,5-dihydroxybenzoate?
The CAS number of Ethyl 2,5-dihydroxybenzoate is 3943-91-7.
What is the molecular formula of Ethyl 2,5-dihydroxybenzoate?
The molecular formula of Ethyl 2,5-dihydroxybenzoate is C9H10O4.
What is the molecular weight of Ethyl 2,5-dihydroxybenzoate?
The molecular weight of Ethyl 2,5-dihydroxybenzoate is 182.06 g/mol.
Where can I buy Ethyl 2,5-dihydroxybenzoate?
You can request a quote for Ethyl 2,5-dihydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,5-dihydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,5-dihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.