2,6-Dimethylisobutyranilide
TL;DR: 2,6-Dimethylisobutyranilide (CAS 33098-76-9) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-methylpropanamide
Also Known As: 2,6-Dimethylisobutyranilide, N-(2,6-dimethylphenyl)-2-methylpropanamide, 2',6'-Isobutyroxylidide, 2,6-Dimethyl-i-butyranilide, ISOBUTYRANILIDE, 2,6-DIMETHYL-
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 33098-76-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C(C)C |
| InChIKey | IIRBAAZJVBNVAJ-UHFFFAOYSA-N |
Product Overview
2,6-Dimethylisobutyranilide (CAS 33098-76-9), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-methylpropanamide.
Chemical Property Profile of 2,6-Dimethylisobutyranilide
Property Insights of 2,6-Dimethylisobutyranilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethylisobutyranilide. With a topological polar surface area (TPSA) of 29.1 Ų, 2,6-Dimethylisobutyranilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylisobutyranilide 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 2,6-Dimethylisobutyranilide?
The CAS number of 2,6-Dimethylisobutyranilide is 33098-76-9.
What is the molecular formula of 2,6-Dimethylisobutyranilide?
The molecular formula of 2,6-Dimethylisobutyranilide is C12H17NO.
What is the molecular weight of 2,6-Dimethylisobutyranilide?
The molecular weight of 2,6-Dimethylisobutyranilide is 191.13 g/mol.
Where can I buy 2,6-Dimethylisobutyranilide?
You can request a quote for 2,6-Dimethylisobutyranilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylisobutyranilide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylisobutyranilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.