Benzyl benzoyloxybenzoate
TL;DR: Benzyl benzoyloxybenzoate (CAS 96682-10-9) is a chemical compound with molecular formula C21H16O4 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-benzoyloxybenzoate
Also Known As: benzyl benzoyloxybenzoate, Benzyl 4-benzoyloxybenzoate, FIXATEUR BBB, Benzoic acid, 4-(benzoyloxy)-, phenylmethyl ester, BENZYL 4-(BENZOYLOXY)BENZOATE
| Molecular Formula | C21H16O4 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.10486 |
| Heavy Atoms | 25 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 96682-10-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | NMOYKBFAUKIKMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl benzoyloxybenzoate (CAS 96682-10-9), with molecular formula C21H16O4 and molecular weight 332.10 g/mol. IUPAC: benzyl 4-benzoyloxybenzoate.
Chemical Property Profile of Benzyl benzoyloxybenzoate
Property Insights of Benzyl benzoyloxybenzoate
The XLogP value of 5.4 indicates that Benzyl benzoyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzyl benzoyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl benzoyloxybenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl benzoyloxybenzoate?
The CAS number of Benzyl benzoyloxybenzoate is 96682-10-9.
What is the molecular formula of Benzyl benzoyloxybenzoate?
The molecular formula of Benzyl benzoyloxybenzoate is C21H16O4.
What is the molecular weight of Benzyl benzoyloxybenzoate?
The molecular weight of Benzyl benzoyloxybenzoate is 332.10 g/mol.
Where can I buy Benzyl benzoyloxybenzoate?
You can request a quote for Benzyl benzoyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl benzoyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl benzoyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.