2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate
TL;DR: 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate (CAS 23174-54-1) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-2,2,5,5-tetramethylcyclohexyl) acetate
Also Known As: 2,2,5,5-tetramethylcyclohexane-1,3-diyl diacetate, (3-acetyloxy-2,2,5,5-tetramethylcyclohexyl) acetate, trans-2,2,5,5-Tetramethyl-cyclohexan-1,3-diacetat, 1,3-Cyclohexanediol,2,2,5,5-tetramethyl-, 1,3-diacetate
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 23174-54-1 |
|---|---|
| SMILES | CC(=O)OC1CC(CC(C1(C)C)OC(=O)C)(C)C |
| InChIKey | SXMQOKFREGXHNY-UHFFFAOYSA-N |
Product Overview
2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate (CAS 23174-54-1), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: (3-acetyloxy-2,2,5,5-tetramethylcyclohexyl) acetate.
Chemical Property Profile of 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate
Property Insights of 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate
The XLogP value of 3.0 indicates that 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5,5-Tetramethylcyclohexane-1,3-diyl 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 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate?
The CAS number of 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate is 23174-54-1.
What is the molecular formula of 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate?
The molecular formula of 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate is C14H24O4.
What is the molecular weight of 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate?
The molecular weight of 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate is 256.17 g/mol.
Where can I buy 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate?
You can request a quote for 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5,5-Tetramethylcyclohexane-1,3-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.