(2,5-Diacetyloxyphenyl)methyl benzoate
TL;DR: (2,5-Diacetyloxyphenyl)methyl benzoate (CAS 17019-78-2) 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.
(2,5-diacetyloxyphenyl)methyl benzoate
Also Known As: (2,5-diacetyloxyphenyl)methyl benzoate, 2,5-Bis(acetyloxy)benzyl benzoate, 2,5-Bis(acetyloxy)benzyl benzoate #, [2,5-bis(acetyloxy)phenyl]methyl benzoate, 2,5-Dihydroxybenzenemethanol 2,5-diacetate alpha-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 | 17019-78-2 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)OC(=O)C)COC(=O)C2=CC=CC=C2 |
| InChIKey | KFOUCBGGQJRKPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,5-Diacetyloxyphenyl)methyl benzoate (CAS 17019-78-2), with molecular formula C18H16O6 and molecular weight 328.09 g/mol. IUPAC: (2,5-diacetyloxyphenyl)methyl benzoate.
Chemical Property Profile of (2,5-Diacetyloxyphenyl)methyl benzoate
Property Insights of (2,5-Diacetyloxyphenyl)methyl benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,5-Diacetyloxyphenyl)methyl benzoate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-Diacetyloxyphenyl)methyl benzoate. Following Lipinski's Rule of Five, (2,5-Diacetyloxyphenyl)methyl 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
Frequently Asked Questions
What is the CAS number of (2,5-Diacetyloxyphenyl)methyl benzoate?
The CAS number of (2,5-Diacetyloxyphenyl)methyl benzoate is 17019-78-2.
What is the molecular formula of (2,5-Diacetyloxyphenyl)methyl benzoate?
The molecular formula of (2,5-Diacetyloxyphenyl)methyl benzoate is C18H16O6.
What is the molecular weight of (2,5-Diacetyloxyphenyl)methyl benzoate?
The molecular weight of (2,5-Diacetyloxyphenyl)methyl benzoate is 328.09 g/mol.
Where can I buy (2,5-Diacetyloxyphenyl)methyl benzoate?
You can request a quote for (2,5-Diacetyloxyphenyl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-Diacetyloxyphenyl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Diacetyloxyphenyl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.