Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-
TL;DR: Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- (CAS 111044-31-6) is a chemical compound with molecular formula C22H15ClN4O4S and molecular weight 466.05026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-5-nitrophenyl]-phenylmethanone
Also Known As: Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-, (2-{[4-(4-Chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methoxy}-5-nitrophenyl)(phenyl)methanone, [2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-5-nitrophenyl]-phenylmethanone
Technical Specifications
| Molecular Formula | C22H15ClN4O4S |
| Molecular Weight | 466.05026 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.05026 Da |
| Heavy Atoms | 32 |
| Complexity | 747.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=NNC(=S)N3C4=CC=C(C=C4)Cl |
| InChIKey | PKFXCKOFTPDTBM-UHFFFAOYSA-N |
Chemical Property Profile of Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-
Property Insights of Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-
The XLogP value of 5.0 indicates that Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-. Following Lipinski's Rule of Five, Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- has 1 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 Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-?
The CAS number of Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- is 111044-31-6.
What is the molecular formula of Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-?
The molecular formula of Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- is C22H15ClN4O4S.
What is the molecular weight of Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-?
The molecular weight of Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- is 466.05026 g/mol.
Where can I buy Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-?
You can request a quote for Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl-?
Yes, CoreyChem provides custom synthesis services for Methanone, (2-((4,5-dihydro-4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy)-5-nitrophenyl)phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.