Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-
TL;DR: Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- (CAS 116346-20-4) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
Also Known As: N-(Tert-Octyl)Acetoacetamide, 3-oxo-N-(1,1,3,3-tetramethylbutyl)butanamide, Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-, 3-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 116346-20-4 |
|---|---|
| SMILES | CC(=O)CC(=O)NC(C)(C)CC(C)(C)C |
| InChIKey | ROXIBSLHIBBFKK-UHFFFAOYSA-N |
Product Overview
Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- (CAS 116346-20-4), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: 3-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide.
Chemical Property Profile of Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-
Property Insights of Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-. With a topological polar surface area (TPSA) of 46.2 Ų, Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- has 1 hydrogen bond donor(s) and 2 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 Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-?
The CAS number of Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- is 116346-20-4.
What is the molecular formula of Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-?
The molecular formula of Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- is C12H23NO2.
What is the molecular weight of Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-?
The molecular weight of Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- is 213.17 g/mol.
Where can I buy Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-?
You can request a quote for Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetoacetamide, N-(1,1,3,3-tetramethylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.