3'-Chloro-2,2,4'-trimethylpropionanilide
TL;DR: 3'-Chloro-2,2,4'-trimethylpropionanilide (CAS 130721-85-6) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
Also Known As: N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide, 3'-CHLORO-2,2,4'-TRIMETHYLPROPIONANILIDE, 3/'-Chloro-2,2,4/'-trimethylpropionanilide, AO-854/41314232, 659-326-2
Technical Specifications
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.09204 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.09204 Da |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(C)(C)C)Cl |
| InChIKey | MGCIZHQKQMWQGC-UHFFFAOYSA-N |
Chemical Property Profile of 3'-Chloro-2,2,4'-trimethylpropionanilide
Property Insights of 3'-Chloro-2,2,4'-trimethylpropionanilide
The XLogP value of 4.1 indicates that 3'-Chloro-2,2,4'-trimethylpropionanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3'-Chloro-2,2,4'-trimethylpropionanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Chloro-2,2,4'-trimethylpropionanilide has 1 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 3'-Chloro-2,2,4'-trimethylpropionanilide?
The CAS number of 3'-Chloro-2,2,4'-trimethylpropionanilide is 130721-85-6.
What is the molecular formula of 3'-Chloro-2,2,4'-trimethylpropionanilide?
The molecular formula of 3'-Chloro-2,2,4'-trimethylpropionanilide is C12H16ClNO.
What is the molecular weight of 3'-Chloro-2,2,4'-trimethylpropionanilide?
The molecular weight of 3'-Chloro-2,2,4'-trimethylpropionanilide is 225.09204 g/mol.
Where can I buy 3'-Chloro-2,2,4'-trimethylpropionanilide?
You can request a quote for 3'-Chloro-2,2,4'-trimethylpropionanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Chloro-2,2,4'-trimethylpropionanilide?
Yes, CoreyChem provides custom synthesis services for 3'-Chloro-2,2,4'-trimethylpropionanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.