Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate
TL;DR: Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate (CAS 77711-41-2) is a chemical compound with molecular formula C19H22N2O5S and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(N-methyl-4-phenylsulfanylanilino)-2-oxoethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: 2-(Dimethylamino)-N-methyl-4'-(phenylthio)acetanilide oxalate, ACETANILIDE, 2-(DIMETHYLAMINO)-N-METHYL-4'-(PHENYLTHIO)-, OXALATE, dimethyl-[2-(N-methyl-4-phenylsulfanylanilino)-2-oxoethyl]azanium;2-hydroxy-2-oxoacetate, dimethyl-[2-(N-methyl-4-phenylsulfanylanilino)-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate, RefChem:315726
| Molecular Formula | C19H22N2O5S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | -0.23 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.12494 |
| Heavy Atoms | 27 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 77711-41-2 |
|---|---|
| SMILES | C[NH+](C)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)[O-])O |
| InChIKey | RADDYWORSKXIIB-UHFFFAOYSA-N |
Product Overview
Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate (CAS 77711-41-2), with molecular formula C19H22N2O5S and molecular weight 390.12 g/mol. IUPAC: dimethyl-[2-(N-methyl-4-phenylsulfanylanilino)-2-oxoethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate
Property Insights of Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate
The XLogP value of -0.23 indicates that Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate. Following Lipinski's Rule of Five, Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate has 2 hydrogen bond donor(s) and 6 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 Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate?
The CAS number of Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate is 77711-41-2.
What is the molecular formula of Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate?
The molecular formula of Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate is C19H22N2O5S.
What is the molecular weight of Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate?
The molecular weight of Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate is 390.12 g/mol.
Where can I buy Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate?
You can request a quote for Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-(dimethylamino)-N-methyl-4'-(phenylthio)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.