2,2-Dimethyl-1-(2-methylphenyl)propan-1-one
TL;DR: 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one (CAS 2041-37-4) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-(2-methylphenyl)propan-1-one
Also Known As: 2',2,2-TRIMETHYLPROPIOPHENONE, 2,2-dimethyl-1-(2-methylphenyl)propan-1-one, 2 -Methylpivalophenone, t-butyl methylphenyl ketone, 1-Pivaloyl-2-methylbenzene
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.22382 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 318.1415 |
Chemical Identifiers
| CAS Number | 2041-37-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)C(C)(C)C |
Product Overview
2,2-Dimethyl-1-(2-methylphenyl)propan-1-one (CAS 2041-37-4), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2,2-dimethyl-1-(2-methylphenyl)propan-1-one.
Chemical Property Profile of 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one
Property Insights of 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one
The XLogP value of 3.22382 indicates that 2,2-Dimethyl-1-(2-methylphenyl)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, 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1-(2-methylphenyl)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 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one?
The CAS number of 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one is 2041-37-4.
What is the molecular formula of 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one?
The molecular formula of 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one is C12H16O.
What is the molecular weight of 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one?
The molecular weight of 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one is 176.12 g/mol.
Where can I buy 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one?
You can request a quote for 2,2-Dimethyl-1-(2-methylphenyl)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 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.