N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide
TL;DR: N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide (CAS 400080-82-2) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide
Also Known As: N-(4-chlorophenyl)-4-dimethylamino-2-oxo-but-3-enamide, N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide, (E)-N-(4-chlorophenyl)-4-(dimethylamino)-2-oxo-3-butenamide
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.9229 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 438.3238 |
Chemical Identifiers
| CAS Number | 400080-82-2 |
|---|---|
| SMILES | CN(C)C=CC(=O)C(=O)NC1=CC=C(C=C1)Cl |
Product Overview
N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide (CAS 400080-82-2), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide.
Chemical Property Profile of N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide
Property Insights of N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide
The XLogP value of 1.9229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide. With a topological polar surface area (TPSA) of 49.41 Ų, N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide 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-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide?
The CAS number of N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide is 400080-82-2.
What is the molecular formula of N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide?
The molecular formula of N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide is C12H13ClN2O2.
What is the molecular weight of N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide?
The molecular weight of N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide is 252.07 g/mol.
Where can I buy N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide?
You can request a quote for N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-4-(dimethylamino)-2-oxobut-3-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.