Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl
TL;DR: Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl (CAS 63979-90-8) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(2-aminophenyl)sulfanyl-3-nitrophenyl]ethanone
Also Known As: Maybridge1_004289, 2-Nitro-4-acetyl-2'-aminodiphenyl sulfide, 1-{4-[(2-aminophenyl)thio]-3-nitrophenyl}ethan-1-one, Aniline, 2-(4'-acetyl-2'-nitro)phenylthio-, Phenyl sulfide, 4-acetyl-2'-amino-2-nitro-
Technical Specifications
| Molecular Formula | C14H12N2O3S |
| Molecular Weight | 288.05685 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05685 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| Solubility | 19.6 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2N)[N+](=O)[O-] |
| InChIKey | KQQWGWNTDJNMEF-UHFFFAOYSA-N |
Chemical Property Profile of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl
Property Insights of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl. Following Lipinski's Rule of Five, Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl?
The CAS number of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl is 63979-90-8.
What is the molecular formula of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl?
The molecular formula of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl is C14H12N2O3S.
What is the molecular weight of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl?
The molecular weight of Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl is 288.05685 g/mol.
Where can I buy Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl?
You can request a quote for Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl?
Yes, CoreyChem provides custom synthesis services for Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.