(3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone
TL;DR: (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone (CAS 301236-12-4) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-methylphenyl)methanone
Also Known As: 3,5-dimethyl-1-(3-methylbenzoyl)-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole, (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone, F0755-0125, [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-methylphenyl)methanone, 3,5-dimethyl-1-[(3-methylphenyl)carbonyl]-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
| Molecular Formula | C19H17N3O3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 4.55626 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.09906 |
| Heavy Atoms | 26 |
| Complexity | 993.764 |
Chemical Identifiers
| CAS Number | 301236-12-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
(3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone (CAS 301236-12-4), with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol. IUPAC: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-methylphenyl)methanone.
Chemical Property Profile of (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone
Property Insights of (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone
The XLogP value of 4.55626 indicates that (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone. Following Lipinski's Rule of Five, (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone has 0 hydrogen bond donor(s) and 5 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-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone?
The CAS number of (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone is 301236-12-4.
What is the molecular formula of (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone?
The molecular formula of (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone is C19H17N3O3S.
What is the molecular weight of (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone?
The molecular weight of (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone is 367.10 g/mol.
Where can I buy (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone?
You can request a quote for (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)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-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(m-tolyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.