Benzyl-2,5-diacetoxybenzoate
TL;DR: Benzyl-2,5-diacetoxybenzoate (CAS 67577-95-1) is a chemical compound with molecular formula C18H16O6 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,5-diacetyloxybenzoate
Also Known As: B-2,5-Dab, Benzyl-2,5-diacetoxybenzoate, benzyl 2,5-diacetoxybenzoate, benzyl 2,5-diacetyloxybenzoate, BENZYL 2,5-BIS(ACETYLOXY)BENZOATE
| Molecular Formula | C18H16O6 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.0947 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 67577-95-1 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)OC(=O)C)C(=O)OCC2=CC=CC=C2 |
| InChIKey | JWYXNLVVVOZIRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl-2,5-diacetoxybenzoate (CAS 67577-95-1), with molecular formula C18H16O6 and molecular weight 328.09 g/mol. IUPAC: benzyl 2,5-diacetyloxybenzoate.
Chemical Property Profile of Benzyl-2,5-diacetoxybenzoate
Property Insights of Benzyl-2,5-diacetoxybenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl-2,5-diacetoxybenzoate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl-2,5-diacetoxybenzoate. Following Lipinski's Rule of Five, Benzyl-2,5-diacetoxybenzoate 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
Frequently Asked Questions
What is the CAS number of Benzyl-2,5-diacetoxybenzoate?
The CAS number of Benzyl-2,5-diacetoxybenzoate is 67577-95-1.
What is the molecular formula of Benzyl-2,5-diacetoxybenzoate?
The molecular formula of Benzyl-2,5-diacetoxybenzoate is C18H16O6.
What is the molecular weight of Benzyl-2,5-diacetoxybenzoate?
The molecular weight of Benzyl-2,5-diacetoxybenzoate is 328.09 g/mol.
Where can I buy Benzyl-2,5-diacetoxybenzoate?
You can request a quote for Benzyl-2,5-diacetoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-2,5-diacetoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-2,5-diacetoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.