alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride
TL;DR: alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride (CAS 114978-05-1) is a chemical compound with molecular formula C13H17ClO and molecular weight 224.09679 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-methylpropyl)phenyl]propanoyl chloride
Also Known As: 2-(4-Isobutylphenyl)propanoyl chloride, 2-(p-Isobutylphenyl)propionyl chloride, 2-[4-(2-methylpropyl)phenyl]propanoyl chloride, 2-[4-(Isobutyl)phenyl]propionyl chloride, EINECS 252-165-5
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H17ClO |
| Molecular Weight | 224.09679 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.09679 Da |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)Cl |
| InChIKey | QXVRLFIKHYCFJS-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride
Property Insights of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride
The XLogP value of 4.5 indicates that alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride 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
What is the CAS number of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride?
The CAS number of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride is 114978-05-1.
What is the molecular formula of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride?
The molecular formula of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride is C13H17ClO.
What is the molecular weight of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride?
The molecular weight of alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride is 224.09679 g/mol.
Where can I buy alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride?
You can request a quote for alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride?
Yes, CoreyChem provides custom synthesis services for alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.