(3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone
TL;DR: (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone (CAS 442654-17-3) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-pyridin-3-ylmethanone
Also Known As: AB00685683-01, (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone, 3-{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}pyridine, F1148-0099, [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-pyridin-3-ylmethanone
| Molecular Formula | C17H14N4O3S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 3.64284 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.07867 |
| Heavy Atoms | 25 |
| Complexity | 953.78174 |
Chemical Identifiers
| CAS Number | 442654-17-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CN=CC=C2)C)SC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
(3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone (CAS 442654-17-3), with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol. IUPAC: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-pyridin-3-ylmethanone.
Chemical Property Profile of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone
Property Insights of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone
The XLogP value of 3.64284 indicates that (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone. Following Lipinski's Rule of Five, (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone has 0 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 (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone?
The CAS number of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone is 442654-17-3.
What is the molecular formula of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone?
The molecular formula of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone is C17H14N4O3S.
What is the molecular weight of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone?
The molecular weight of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone is 354.08 g/mol.
Where can I buy (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone?
You can request a quote for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.