Benzoic acid, 3,5-dihydroxy-, ethyl ester
TL;DR: Benzoic acid, 3,5-dihydroxy-, ethyl ester (CAS 4142-98-7) 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 3,5-dihydroxybenzoate
Also Known As: Ethyl 3,5-dihydroxybenzoate, Fmoc-D-Gln-OH, Ethyl 35-dihydroxybenzoate, 3,5-dihydroxybenzoic acid ethyl ester, ethyl-3,5-dihydroxybenzoate
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.7 |
| 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 | 170.0 |
Chemical Identifiers
| CAS Number | 4142-98-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)O)O |
| InChIKey | APHYVLPIZUVDTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3,5-dihydroxy-, ethyl ester (CAS 4142-98-7), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: ethyl 3,5-dihydroxybenzoate.
Chemical Property Profile of Benzoic acid, 3,5-dihydroxy-, ethyl ester
Property Insights of Benzoic acid, 3,5-dihydroxy-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dihydroxy-, ethyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-dihydroxy-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dihydroxy-, ethyl ester 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 Benzoic acid, 3,5-dihydroxy-, ethyl ester?
The CAS number of Benzoic acid, 3,5-dihydroxy-, ethyl ester is 4142-98-7.
What is the molecular formula of Benzoic acid, 3,5-dihydroxy-, ethyl ester?
The molecular formula of Benzoic acid, 3,5-dihydroxy-, ethyl ester is C9H10O4.
What is the molecular weight of Benzoic acid, 3,5-dihydroxy-, ethyl ester?
The molecular weight of Benzoic acid, 3,5-dihydroxy-, ethyl ester is 182.06 g/mol.
Where can I buy Benzoic acid, 3,5-dihydroxy-, ethyl ester?
You can request a quote for Benzoic acid, 3,5-dihydroxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-dihydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dihydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.