Ethyl 3-hydroxybenzoate
TL;DR: Ethyl 3-hydroxybenzoate (CAS 7781-98-8) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxybenzoate
Also Known As: Ethyl 3-hydroxybenzoate, Ethyl m-hydroxybenzoate, m-Ethoxycarbonylphenol, Ethyl3-hydroxybenzoate, Benzoic acid, 3-hydroxy-, ethyl ester
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 7781-98-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)O |
| InChIKey | MWSMNBYIEBRXAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxybenzoate (CAS 7781-98-8), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: ethyl 3-hydroxybenzoate.
Chemical Property Profile of Ethyl 3-hydroxybenzoate
Property Insights of Ethyl 3-hydroxybenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxybenzoate has 1 hydrogen bond donor(s) and 3 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-hydroxybenzoate?
The CAS number of Ethyl 3-hydroxybenzoate is 7781-98-8.
What is the molecular formula of Ethyl 3-hydroxybenzoate?
The molecular formula of Ethyl 3-hydroxybenzoate is C9H10O3.
What is the molecular weight of Ethyl 3-hydroxybenzoate?
The molecular weight of Ethyl 3-hydroxybenzoate is 166.06 g/mol.
Where can I buy Ethyl 3-hydroxybenzoate?
You can request a quote for Ethyl 3-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.