2,6-Di-tert-butyl-4-methylcyclohexanone
TL;DR: 2,6-Di-tert-butyl-4-methylcyclohexanone (CAS 27247-44-5) is a chemical compound with molecular formula C15H28O and molecular weight 224.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-methylcyclohexan-1-one
Also Known As: 2,6-di-tert-butyl-4-methylcyclohexanone, 2,6-ditert-butyl-4-methylcyclohexan-1-one, Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl-, 2,6-DI-TERT-BUTYL-4-METHYLCYCLOHEXAN-1-ONE, 2,6-Di-tert-butyl-4-methylcyclohexanone (mixture of isomers)
| Molecular Formula | C15H28O |
|---|---|
| Molecular Weight | 224.21 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.21402 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 27247-44-5 |
|---|---|
| SMILES | CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C |
| InChIKey | LDPDMUPXRDWOPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Di-tert-butyl-4-methylcyclohexanone (CAS 27247-44-5), with molecular formula C15H28O and molecular weight 224.21 g/mol. IUPAC: 2,6-ditert-butyl-4-methylcyclohexan-1-one.
Chemical Property Profile of 2,6-Di-tert-butyl-4-methylcyclohexanone
Property Insights of 2,6-Di-tert-butyl-4-methylcyclohexanone
The XLogP value of 4.7 indicates that 2,6-Di-tert-butyl-4-methylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-Di-tert-butyl-4-methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-methylcyclohexanone has 0 hydrogen bond donor(s) and 1 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 2,6-Di-tert-butyl-4-methylcyclohexanone?
The CAS number of 2,6-Di-tert-butyl-4-methylcyclohexanone is 27247-44-5.
What is the molecular formula of 2,6-Di-tert-butyl-4-methylcyclohexanone?
The molecular formula of 2,6-Di-tert-butyl-4-methylcyclohexanone is C15H28O.
What is the molecular weight of 2,6-Di-tert-butyl-4-methylcyclohexanone?
The molecular weight of 2,6-Di-tert-butyl-4-methylcyclohexanone is 224.21 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-methylcyclohexanone?
You can request a quote for 2,6-Di-tert-butyl-4-methylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.