1,4-Bis(benzoyloxymethyl)cyclohexane
TL;DR: 1,4-Bis(benzoyloxymethyl)cyclohexane (CAS 35541-81-2) is a chemical compound with molecular formula C22H24O4 and molecular weight 352.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzoyloxymethyl)cyclohexyl]methyl benzoate
Also Known As: 1,4-Cyclohexanedimethanol, dibenzoate, BENZOFLEX, BENZOFLEX 352, 1,4-cyclohexanedimethanol dibenzoate, 1,4-bis(benzoyloxymethyl)cyclohexane
| Molecular Formula | C22H24O4 |
|---|---|
| Molecular Weight | 352.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.16745 |
| Heavy Atoms | 26 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 35541-81-2 |
|---|---|
| SMILES | C1CC(CCC1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3 |
| InChIKey | CVPZXHCZKMFVOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(benzoyloxymethyl)cyclohexane (CAS 35541-81-2), with molecular formula C22H24O4 and molecular weight 352.17 g/mol. IUPAC: [4-(benzoyloxymethyl)cyclohexyl]methyl benzoate.
Chemical Property Profile of 1,4-Bis(benzoyloxymethyl)cyclohexane
Property Insights of 1,4-Bis(benzoyloxymethyl)cyclohexane
The XLogP value of 5.0 indicates that 1,4-Bis(benzoyloxymethyl)cyclohexane 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-Bis(benzoyloxymethyl)cyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(benzoyloxymethyl)cyclohexane 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-Bis(benzoyloxymethyl)cyclohexane?
The CAS number of 1,4-Bis(benzoyloxymethyl)cyclohexane is 35541-81-2.
What is the molecular formula of 1,4-Bis(benzoyloxymethyl)cyclohexane?
The molecular formula of 1,4-Bis(benzoyloxymethyl)cyclohexane is C22H24O4.
What is the molecular weight of 1,4-Bis(benzoyloxymethyl)cyclohexane?
The molecular weight of 1,4-Bis(benzoyloxymethyl)cyclohexane is 352.17 g/mol.
Where can I buy 1,4-Bis(benzoyloxymethyl)cyclohexane?
You can request a quote for 1,4-Bis(benzoyloxymethyl)cyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(benzoyloxymethyl)cyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(benzoyloxymethyl)cyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.