(4-Benzoyloxy-3,5-dimethylphenyl) benzoate
TL;DR: (4-Benzoyloxy-3,5-dimethylphenyl) benzoate (CAS 21111-81-9) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxy-3,5-dimethylphenyl) benzoate
Also Known As: (4-benzoyloxy-3,5-dimethylphenyl) benzoate, 2,6-Dimethyl-1,4-phenylene dibenzoate, 1,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 21111-81-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)C)OC(=O)C3=CC=CC=C3 |
| InChIKey | PWEDRMDCDISIQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Benzoyloxy-3,5-dimethylphenyl) benzoate (CAS 21111-81-9), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: (4-benzoyloxy-3,5-dimethylphenyl) benzoate.
Chemical Property Profile of (4-Benzoyloxy-3,5-dimethylphenyl) benzoate
Property Insights of (4-Benzoyloxy-3,5-dimethylphenyl) benzoate
The XLogP value of 5.5 indicates that (4-Benzoyloxy-3,5-dimethylphenyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (4-Benzoyloxy-3,5-dimethylphenyl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzoyloxy-3,5-dimethylphenyl) benzoate 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 (4-Benzoyloxy-3,5-dimethylphenyl) benzoate?
The CAS number of (4-Benzoyloxy-3,5-dimethylphenyl) benzoate is 21111-81-9.
What is the molecular formula of (4-Benzoyloxy-3,5-dimethylphenyl) benzoate?
The molecular formula of (4-Benzoyloxy-3,5-dimethylphenyl) benzoate is C22H18O4.
What is the molecular weight of (4-Benzoyloxy-3,5-dimethylphenyl) benzoate?
The molecular weight of (4-Benzoyloxy-3,5-dimethylphenyl) benzoate is 346.12 g/mol.
Where can I buy (4-Benzoyloxy-3,5-dimethylphenyl) benzoate?
You can request a quote for (4-Benzoyloxy-3,5-dimethylphenyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzoyloxy-3,5-dimethylphenyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzoyloxy-3,5-dimethylphenyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.