3,4-Bis(acetyloxy)benzoic acid
TL;DR: 3,4-Bis(acetyloxy)benzoic acid (CAS 58534-64-8) is a chemical compound with molecular formula C11H10O6 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diacetyloxybenzoic acid
Also Known As: 3,4-Diacetoxybenzoic acid, 3,4-Bis(acetyloxy)benzoic acid, 3,4-diacetyloxybenzoic acid, 3,4-Diacetoxy-benzoic acid, Tachistin
| Molecular Formula | C11H10O6 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.04774 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 58534-64-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(=O)O)OC(=O)C |
| InChIKey | FJVSTYFZOUSZCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Bis(acetyloxy)benzoic acid (CAS 58534-64-8), with molecular formula C11H10O6 and molecular weight 238.05 g/mol. IUPAC: 3,4-diacetyloxybenzoic acid.
Chemical Property Profile of 3,4-Bis(acetyloxy)benzoic acid
Property Insights of 3,4-Bis(acetyloxy)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Bis(acetyloxy)benzoic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Bis(acetyloxy)benzoic acid. Following Lipinski's Rule of Five, 3,4-Bis(acetyloxy)benzoic acid has 1 hydrogen bond donor(s) and 6 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 3,4-Bis(acetyloxy)benzoic acid?
The CAS number of 3,4-Bis(acetyloxy)benzoic acid is 58534-64-8.
What is the molecular formula of 3,4-Bis(acetyloxy)benzoic acid?
The molecular formula of 3,4-Bis(acetyloxy)benzoic acid is C11H10O6.
What is the molecular weight of 3,4-Bis(acetyloxy)benzoic acid?
The molecular weight of 3,4-Bis(acetyloxy)benzoic acid is 238.05 g/mol.
Where can I buy 3,4-Bis(acetyloxy)benzoic acid?
You can request a quote for 3,4-Bis(acetyloxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(acetyloxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(acetyloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.