2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one
TL;DR: 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one (CAS 84604-49-9) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one
Also Known As: EINECS 283-329-4, 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one, 2-Methyl-1-(3,3,5-trimethylcyclohexyl)-1-propanone, 1-Propanone,2-methyl-1-(3,3,5-trimethylcyclohexyl)-
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 3.6739 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 215.27545 |
Chemical Identifiers
| CAS Number | 84604-49-9 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)C(=O)C(C)C |
Product Overview
2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one (CAS 84604-49-9), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: 2-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one.
Chemical Property Profile of 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one
Property Insights of 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one
The XLogP value of 3.6739 indicates that 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one 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-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one?
The CAS number of 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one is 84604-49-9.
What is the molecular formula of 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one?
The molecular formula of 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one is C13H24O.
What is the molecular weight of 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one?
The molecular weight of 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one is 196.18 g/mol.
Where can I buy 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one?
You can request a quote for 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-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-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.