3,5-Diacetoxybenzoic Acid
TL;DR: 3,5-Diacetoxybenzoic Acid (CAS 145087-21-4) is a chemical compound with molecular formula C11H10O6 and molecular weight 238.04774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-diacetyloxybenzoic acid
Also Known As: 3,5-Diacetoxybenzoic acid, 3,5-diacetyloxybenzoic acid, 3,5-Bis(acetyloxy)benzoic acid, 3,5-Diacethoxybenzoic acid, Benzoic acid, 3,5-bis(acetyloxy)-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10O6 |
| Molecular Weight | 238.04774 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.04774 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | CC(=O)OC1=CC(=CC(=C1)C(=O)O)OC(=O)C |
| InChIKey | QBTDQJMLMVEUTQ-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Diacetoxybenzoic Acid
Property Insights of 3,5-Diacetoxybenzoic Acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diacetoxybenzoic Acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diacetoxybenzoic Acid. Following Lipinski's Rule of Five, 3,5-Diacetoxybenzoic 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
What is the CAS number of 3,5-Diacetoxybenzoic Acid?
The CAS number of 3,5-Diacetoxybenzoic Acid is 145087-21-4.
What is the molecular formula of 3,5-Diacetoxybenzoic Acid?
The molecular formula of 3,5-Diacetoxybenzoic Acid is C11H10O6.
What is the molecular weight of 3,5-Diacetoxybenzoic Acid?
The molecular weight of 3,5-Diacetoxybenzoic Acid is 238.04774 g/mol.
Where can I buy 3,5-Diacetoxybenzoic Acid?
You can request a quote for 3,5-Diacetoxybenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Diacetoxybenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Diacetoxybenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.