N,N-二乙基乙酰乙酰胺
TL;DR: N,N-二乙基乙酰乙酰胺 (CAS 2235-46-3) 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,N-二乙基乙酰乙酰胺
N,N-diethyl-3-oxobutanamide
Also Known As: N,N-Diethylacetoacetamide, N,N-Diethyl-3-oxobutanamide, Diethylacetoacetamide, Acetoacetdiethylamide, N,N-Diethylacetylacetamide
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
| Melting Point | FREEZING POINT: -70 °C |
| Boiling Point | DECOMPOSES |
| Density | 0.995 @ 20 °C/20 °C |
| Solubility | SOLUBLE IN WATER |
| Flash Point | 121 °C |
Chemical Identifiers
| CAS Number | 2235-46-3 |
|---|---|
| SMILES | CCN(CC)C(=O)CC(=O)C |
| InChIKey | NTMXFHGYWJIAAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-二乙基乙酰乙酰胺 (CAS 2235-46-3), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: N,N-diethyl-3-oxobutanamide.
Chemical Property Profile of N,N-二乙基乙酰乙酰胺
Property Insights of N,N-二乙基乙酰乙酰胺
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-二乙基乙酰乙酰胺. With a topological polar surface area (TPSA) of 37.4 Ų, N,N-二乙基乙酰乙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-二乙基乙酰乙酰胺 has 0 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,N-二乙基乙酰乙酰胺?
The CAS number of N,N-二乙基乙酰乙酰胺 is 2235-46-3.
What is the molecular formula of N,N-二乙基乙酰乙酰胺?
The molecular formula of N,N-二乙基乙酰乙酰胺 is C8H15NO2.
What is the molecular weight of N,N-二乙基乙酰乙酰胺?
The molecular weight of N,N-二乙基乙酰乙酰胺 is 157.11 g/mol.
Where can I buy N,N-二乙基乙酰乙酰胺?
You can request a quote for N,N-二乙基乙酰乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二乙基乙酰乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-二乙基乙酰乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.