3'-Chloro-2,2,2'-trimethylpropionanilide
TL;DR: 3'-Chloro-2,2,2'-trimethylpropionanilide (CAS 114153-36-5) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide
Also Known As: N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide, 3'-chloro-2'-methylpivalanilide, N-(3-chloro-2-methylphenyl)pivalamide, N-(3-Chloro-2-methylphenyl)-2,2-dimethyl-propionamide, 3'-CHLORO-2,2,2'-TRIMETHYLPROPIONANILIDE
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 3.63302 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 379.69876 |
Chemical Identifiers
| CAS Number | 114153-36-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C(C)(C)C |
Product Overview
3'-Chloro-2,2,2'-trimethylpropionanilide (CAS 114153-36-5), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide.
Chemical Property Profile of 3'-Chloro-2,2,2'-trimethylpropionanilide
Property Insights of 3'-Chloro-2,2,2'-trimethylpropionanilide
The XLogP value of 3.63302 indicates that 3'-Chloro-2,2,2'-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-2,2,2'-trimethylpropionanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Chloro-2,2,2'-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
Frequently Asked Questions
What is the CAS number of 3'-Chloro-2,2,2'-trimethylpropionanilide?
The CAS number of 3'-Chloro-2,2,2'-trimethylpropionanilide is 114153-36-5.
What is the molecular formula of 3'-Chloro-2,2,2'-trimethylpropionanilide?
The molecular formula of 3'-Chloro-2,2,2'-trimethylpropionanilide is C12H16ClNO.
What is the molecular weight of 3'-Chloro-2,2,2'-trimethylpropionanilide?
The molecular weight of 3'-Chloro-2,2,2'-trimethylpropionanilide is 225.09 g/mol.
Where can I buy 3'-Chloro-2,2,2'-trimethylpropionanilide?
You can request a quote for 3'-Chloro-2,2,2'-trimethylpropionanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Chloro-2,2,2'-trimethylpropionanilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-Chloro-2,2,2'-trimethylpropionanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.