o-Phenylene dibenzoate
TL;DR: o-Phenylene dibenzoate (CAS 643-94-7) is a chemical compound with molecular formula C20H14O4 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyloxyphenyl) benzoate
Also Known As: o-Phenylene dibenzoate, 1,2-phenylene dibenzoate, (2-benzoyloxyphenyl) benzoate, catechol dibenzoate, pyrocatechol dibenzoate
| Molecular Formula | C20H14O4 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0892 |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 643-94-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2OC(=O)C3=CC=CC=C3 |
| InChIKey | LVTPRIAGCBEGPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Phenylene dibenzoate (CAS 643-94-7), with molecular formula C20H14O4 and molecular weight 318.09 g/mol. IUPAC: (2-benzoyloxyphenyl) benzoate.
Chemical Property Profile of o-Phenylene dibenzoate
Property Insights of o-Phenylene dibenzoate
The XLogP value of 5.0 indicates that o-Phenylene dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, o-Phenylene dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Phenylene dibenzoate 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 o-Phenylene dibenzoate?
The CAS number of o-Phenylene dibenzoate is 643-94-7.
What is the molecular formula of o-Phenylene dibenzoate?
The molecular formula of o-Phenylene dibenzoate is C20H14O4.
What is the molecular weight of o-Phenylene dibenzoate?
The molecular weight of o-Phenylene dibenzoate is 318.09 g/mol.
Where can I buy o-Phenylene dibenzoate?
You can request a quote for o-Phenylene dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Phenylene dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for o-Phenylene dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.