Benzoic acid, 4-(acetyloxy)-2-hydroxy-
TL;DR: Benzoic acid, 4-(acetyloxy)-2-hydroxy- (CAS 58534-63-7) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxy-2-hydroxybenzoic acid
Also Known As: 2-Hydroxy-4-acetoxybenzoic acid, 4-(Acetyloxy)-2-hydroxybenzoic acid, Benzoic acid, 4-(acetyloxy)-2-hydroxy-, p-acetoxy hydroxybenzoic acid, 4-acetyloxy-2-hydroxybenzoic acid
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 58534-63-7 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)C(=O)O)O |
| InChIKey | SBIQQRCJRLHJEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(acetyloxy)-2-hydroxy- (CAS 58534-63-7), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: 4-acetyloxy-2-hydroxybenzoic acid.
Chemical Property Profile of Benzoic acid, 4-(acetyloxy)-2-hydroxy-
Property Insights of Benzoic acid, 4-(acetyloxy)-2-hydroxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(acetyloxy)-2-hydroxy-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(acetyloxy)-2-hydroxy-. Following Lipinski's Rule of Five, Benzoic acid, 4-(acetyloxy)-2-hydroxy- has 2 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 Benzoic acid, 4-(acetyloxy)-2-hydroxy-?
The CAS number of Benzoic acid, 4-(acetyloxy)-2-hydroxy- is 58534-63-7.
What is the molecular formula of Benzoic acid, 4-(acetyloxy)-2-hydroxy-?
The molecular formula of Benzoic acid, 4-(acetyloxy)-2-hydroxy- is C9H8O5.
What is the molecular weight of Benzoic acid, 4-(acetyloxy)-2-hydroxy-?
The molecular weight of Benzoic acid, 4-(acetyloxy)-2-hydroxy- is 196.04 g/mol.
Where can I buy Benzoic acid, 4-(acetyloxy)-2-hydroxy-?
You can request a quote for Benzoic acid, 4-(acetyloxy)-2-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(acetyloxy)-2-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(acetyloxy)-2-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.