Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate
TL;DR: Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate (CAS 77711-55-8) is a chemical compound with molecular formula C20H24N2O5S and molecular weight 404.1406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-oxo-2-(4-phenylsulfanylanilino)ethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: 2-(Diethylamino)-4'-(phenylthio)-acetanilide oxalate, ACETANILIDE, 2-(DIETHYLAMINO)-4'-(PHENYLTHIO)-, OXALATE, ACETANILIDE,2-(DIETHYLAMINO)-4-(PHENYLTHIO)-,OXALATE, diethyl-[2-oxo-2-(4-phenylsulfanylanilino)ethyl]azanium; 2-hydroxy-2-oxoacetate, diethyl-[2-oxo-2-[(4-phenylsulfanylphenyl)amino]ethyl]azanium; 2-hydroxy-2-oxoacetate
Technical Specifications
| Molecular Formula | C20H24N2O5S |
| Molecular Weight | 404.1406 g/mol |
| XLogP | 0.52 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.1406 Da |
| Heavy Atoms | 28 |
| Complexity | 397.0 |
| SMILES | CC[NH+](CC)CC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)[O-])O |
| InChIKey | RWOWDHGGFAHHJV-UHFFFAOYSA-N |
Chemical Property Profile of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate
Property Insights of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate. Following Lipinski's Rule of Five, Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate?
The CAS number of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate is 77711-55-8.
What is the molecular formula of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate?
The molecular formula of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate is C20H24N2O5S.
What is the molecular weight of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate?
The molecular weight of Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate is 404.1406 g/mol.
Where can I buy Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate?
You can request a quote for Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate?
Yes, CoreyChem provides custom synthesis services for Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.