3,4-Bis(acetyloxy)benzoate
TL;DR: 3,4-Bis(acetyloxy)benzoate (CAS 58543-13-8) is a chemical compound with molecular formula C11H9O6- and molecular weight 237.03992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-diacetyloxybenzoate
Also Known As: Tachistin, 3,4-diacetyloxybenzoate, 3,4-bis(acetyloxy)benzoate
Technical Specifications
| Molecular Formula | C11H9O6- |
| Molecular Weight | 237.03992 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.03992 Da |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(=O)[O-])OC(=O)C |
| InChIKey | FJVSTYFZOUSZCS-UHFFFAOYSA-M |
Chemical Property Profile of 3,4-Bis(acetyloxy)benzoate
Property Insights of 3,4-Bis(acetyloxy)benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Bis(acetyloxy)benzoate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Bis(acetyloxy)benzoate. Following Lipinski's Rule of Five, 3,4-Bis(acetyloxy)benzoate has 0 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 3,4-Bis(acetyloxy)benzoate?
The CAS number of 3,4-Bis(acetyloxy)benzoate is 58543-13-8.
What is the molecular formula of 3,4-Bis(acetyloxy)benzoate?
The molecular formula of 3,4-Bis(acetyloxy)benzoate is C11H9O6-.
What is the molecular weight of 3,4-Bis(acetyloxy)benzoate?
The molecular weight of 3,4-Bis(acetyloxy)benzoate is 237.03992 g/mol.
Where can I buy 3,4-Bis(acetyloxy)benzoate?
You can request a quote for 3,4-Bis(acetyloxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Bis(acetyloxy)benzoate?
Yes, CoreyChem provides custom synthesis services for 3,4-Bis(acetyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.