Benzylidene diacetate
TL;DR: Benzylidene diacetate (CAS 581-55-5) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy(phenyl)methyl] acetate
Also Known As: Benzal diacetate, Phenylmethylene diacetate, Benzylidene diacetate, Benzaldiacetate, Benzaldiacetat
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 581-55-5 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)OC(=O)C |
| InChIKey | XRYSDRCNTMEYFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylidene diacetate (CAS 581-55-5), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: [acetyloxy(phenyl)methyl] acetate.
Chemical Property Profile of Benzylidene diacetate
Property Insights of Benzylidene diacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylidene diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Benzylidene diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylidene diacetate has 0 hydrogen bond donor(s) and 4 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 Benzylidene diacetate?
The CAS number of Benzylidene diacetate is 581-55-5.
What is the molecular formula of Benzylidene diacetate?
The molecular formula of Benzylidene diacetate is C11H12O4.
What is the molecular weight of Benzylidene diacetate?
The molecular weight of Benzylidene diacetate is 208.07 g/mol.
Where can I buy Benzylidene diacetate?
You can request a quote for Benzylidene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidene diacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzylidene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.