1,4-Dibenzoyloxycyclohexan
TL;DR: 1,4-Dibenzoyloxycyclohexan (CAS 80782-98-5) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxycyclohexyl) benzoate
Also Known As: 1,4-Dibenzoyloxycyclohexan, (4-benzoyloxycyclohexyl) benzoate, 1,4-Bis(benzoyloxy)cyclohexane, 4-(Benzoyloxy)cyclohexyl benzoate, 1,4-Cyclohexanediol, dibenzoate
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 80782-98-5 |
|---|---|
| SMILES | C1CC(CCC1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | ZLWCKIITGASJBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dibenzoyloxycyclohexan (CAS 80782-98-5), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: (4-benzoyloxycyclohexyl) benzoate.
Chemical Property Profile of 1,4-Dibenzoyloxycyclohexan
Property Insights of 1,4-Dibenzoyloxycyclohexan
The XLogP value of 4.7 indicates that 1,4-Dibenzoyloxycyclohexan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Dibenzoyloxycyclohexan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibenzoyloxycyclohexan 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 1,4-Dibenzoyloxycyclohexan?
The CAS number of 1,4-Dibenzoyloxycyclohexan is 80782-98-5.
What is the molecular formula of 1,4-Dibenzoyloxycyclohexan?
The molecular formula of 1,4-Dibenzoyloxycyclohexan is C20H20O4.
What is the molecular weight of 1,4-Dibenzoyloxycyclohexan?
The molecular weight of 1,4-Dibenzoyloxycyclohexan is 324.14 g/mol.
Where can I buy 1,4-Dibenzoyloxycyclohexan?
You can request a quote for 1,4-Dibenzoyloxycyclohexan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibenzoyloxycyclohexan?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibenzoyloxycyclohexan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.