C22H19ClN8O3S
TL;DR: C22H19ClN8O3S (CAS 1010862-63-1) is a chemical compound with molecular formula C22H19ClN8O3S and molecular weight 510.09894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, C22H19ClN8O3S
Technical Specifications
| Molecular Formula | C22H19ClN8O3S |
| Molecular Weight | 510.09894 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.09894 Da |
| Heavy Atoms | 35 |
| Complexity | 767.0 |
| SMILES | CC1=NN(C(=C1/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4 |
| InChIKey | DAGIYDIRAAUYFA-WYMPLXKRSA-N |
Chemical Property Profile of C22H19ClN8O3S
Property Insights of C22H19ClN8O3S
The XLogP value of 4.1 indicates that C22H19ClN8O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting C22H19ClN8O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H19ClN8O3S has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C22H19ClN8O3S?
The CAS number of C22H19ClN8O3S is 1010862-63-1.
What is the molecular formula of C22H19ClN8O3S?
The molecular formula of C22H19ClN8O3S is C22H19ClN8O3S.
What is the molecular weight of C22H19ClN8O3S?
The molecular weight of C22H19ClN8O3S is 510.09894 g/mol.
Where can I buy C22H19ClN8O3S?
You can request a quote for C22H19ClN8O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H19ClN8O3S?
Yes, CoreyChem provides custom synthesis services for C22H19ClN8O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.