2-Acetyl-4-tert-butylcyclohexan-1-one
TL;DR: 2-Acetyl-4-tert-butylcyclohexan-1-one (CAS 19980-50-8) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-4-tert-butylcyclohexan-1-one
Also Known As: 2-Acetyl-4-tert-butylcyclohexan-1-one, 2-acetyl-4-tert-butylcyclohexanone, 2-acetyl-4-tert-butyl-cyclohexan-1-one, Cyclohexanone, 2-acetyl-4-(1,1-dimethylethyl)-, EINECS 243-450-5
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 19980-50-8 |
|---|---|
| SMILES | CC(=O)C1CC(CCC1=O)C(C)(C)C |
| InChIKey | JKKVIIBTROLMFL-UHFFFAOYSA-N |
Product Overview
2-Acetyl-4-tert-butylcyclohexan-1-one (CAS 19980-50-8), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 2-acetyl-4-tert-butylcyclohexan-1-one.
Chemical Property Profile of 2-Acetyl-4-tert-butylcyclohexan-1-one
Property Insights of 2-Acetyl-4-tert-butylcyclohexan-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-4-tert-butylcyclohexan-1-one. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Acetyl-4-tert-butylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-tert-butylcyclohexan-1-one has 0 hydrogen bond donor(s) and 2 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-Acetyl-4-tert-butylcyclohexan-1-one?
The CAS number of 2-Acetyl-4-tert-butylcyclohexan-1-one is 19980-50-8.
What is the molecular formula of 2-Acetyl-4-tert-butylcyclohexan-1-one?
The molecular formula of 2-Acetyl-4-tert-butylcyclohexan-1-one is C12H20O2.
What is the molecular weight of 2-Acetyl-4-tert-butylcyclohexan-1-one?
The molecular weight of 2-Acetyl-4-tert-butylcyclohexan-1-one is 196.15 g/mol.
Where can I buy 2-Acetyl-4-tert-butylcyclohexan-1-one?
You can request a quote for 2-Acetyl-4-tert-butylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-tert-butylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-tert-butylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.