N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
TL;DR: N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide (CAS 6641-63-0) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
Also Known As: Kecaoan, Monsanto 31675, s219, N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide, 2-tert-Butyl-6-methylchloroacetanilide
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6641-63-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCl |
| InChIKey | JYNOTRFRRIKTHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide (CAS 6641-63-0), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide.
Chemical Property Profile of N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
Property Insights of N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
The XLogP value of 3.8 indicates that N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide 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 N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide?
The CAS number of N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide is 6641-63-0.
What is the molecular formula of N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide?
The molecular formula of N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide is C13H18ClNO.
What is the molecular weight of N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide?
The molecular weight of N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide is 239.11 g/mol.
Where can I buy N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide?
You can request a quote for N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.