Cyclohexane-1,4-diyldimethanediyl diacetate
TL;DR: Cyclohexane-1,4-diyldimethanediyl diacetate (CAS 6308-18-5) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(acetyloxymethyl)cyclohexyl]methyl acetate
Also Known As: cyclohexane-1,4-diyldimethanediyl diacetate, [4-(acetyloxymethyl)cyclohexyl]methyl acetate, CHDM diacetate derivative, cis isomer, CHDM diacetate derivative, trans isomer, 1,4-Cyclohexanedimethanol,1,4-diacetate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 6308-18-5 |
|---|---|
| SMILES | CC(=O)OCC1CCC(CC1)COC(=O)C |
| InChIKey | NNCDHEJIRBOLSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane-1,4-diyldimethanediyl diacetate (CAS 6308-18-5), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: [4-(acetyloxymethyl)cyclohexyl]methyl acetate.
Chemical Property Profile of Cyclohexane-1,4-diyldimethanediyl diacetate
Property Insights of Cyclohexane-1,4-diyldimethanediyl diacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,4-diyldimethanediyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Cyclohexane-1,4-diyldimethanediyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexane-1,4-diyldimethanediyl diacetate 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 Cyclohexane-1,4-diyldimethanediyl diacetate?
The CAS number of Cyclohexane-1,4-diyldimethanediyl diacetate is 6308-18-5.
What is the molecular formula of Cyclohexane-1,4-diyldimethanediyl diacetate?
The molecular formula of Cyclohexane-1,4-diyldimethanediyl diacetate is C12H20O4.
What is the molecular weight of Cyclohexane-1,4-diyldimethanediyl diacetate?
The molecular weight of Cyclohexane-1,4-diyldimethanediyl diacetate is 228.14 g/mol.
Where can I buy Cyclohexane-1,4-diyldimethanediyl diacetate?
You can request a quote for Cyclohexane-1,4-diyldimethanediyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,4-diyldimethanediyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,4-diyldimethanediyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.