N-tert-Butylacetoacetamide
TL;DR: N-tert-Butylacetoacetamide (CAS 42222-06-0) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-oxobutanamide
Also Known As: N-tert-butyl-3-oxobutanamide, N-(tert-butyl)-3-oxobutanamide, N-tert-Butylacetoacetamide, N-t-butyl-3-ketobutanamide, N-tert-butyl acetoacetamide
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 42222-06-0 |
|---|---|
| SMILES | CC(=O)CC(=O)NC(C)(C)C |
| InChIKey | CGGJVHBWBNSMLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-Butylacetoacetamide (CAS 42222-06-0), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: N-tert-butyl-3-oxobutanamide.
Chemical Property Profile of N-tert-Butylacetoacetamide
Property Insights of N-tert-Butylacetoacetamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butylacetoacetamide. With a topological polar surface area (TPSA) of 46.2 Ų, N-tert-Butylacetoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-Butylacetoacetamide 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 N-tert-Butylacetoacetamide?
The CAS number of N-tert-Butylacetoacetamide is 42222-06-0.
What is the molecular formula of N-tert-Butylacetoacetamide?
The molecular formula of N-tert-Butylacetoacetamide is C8H15NO2.
What is the molecular weight of N-tert-Butylacetoacetamide?
The molecular weight of N-tert-Butylacetoacetamide is 157.11 g/mol.
Where can I buy N-tert-Butylacetoacetamide?
You can request a quote for N-tert-Butylacetoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butylacetoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butylacetoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.