N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide
TL;DR: N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide (CAS 320418-08-4) is a chemical compound with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide
Also Known As: 2-acetyl-N-(2,4-dichlorophenyl)-3-(dimethylamino)acrylamide, N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide
| Molecular Formula | C13H14Cl2N2O2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 2.9664 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.04324 |
| Heavy Atoms | 19 |
| Complexity | 539.4448 |
Chemical Identifiers
| CAS Number | 320418-08-4 |
|---|---|
| SMILES | CC(=O)C(=CN(C)C)C(=O)NC1=C(C=C(C=C1)Cl)Cl |
Product Overview
N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide (CAS 320418-08-4), with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol. IUPAC: N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide.
Chemical Property Profile of N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide
Property Insights of N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide
The XLogP value of 2.9664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide. With a topological polar surface area (TPSA) of 49.41 Ų, N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide has 1 hydrogen bond donor(s) and 3 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-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide?
The CAS number of N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide is 320418-08-4.
What is the molecular formula of N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide?
The molecular formula of N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide is C13H14Cl2N2O2.
What is the molecular weight of N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide?
The molecular weight of N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide is 300.04 g/mol.
Where can I buy N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide?
You can request a quote for N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.