![3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine structure](/static/products/4208/420840-69-3.webp)
3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine
TL;DR: 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine (CAS 420840-69-3) is a chemical compound with molecular formula C18H17N3OS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-pyridin-3-ylmethanone
Also Known As: MixCom6_001783, BIM-0032163.P001, F1148-0021, 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine, (3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)(pyridin-3-yl)methanone
| Molecular Formula | C18H17N3OS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.10922 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 420840-69-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CN=CC=C3)C |
| InChIKey | SDXNZJVZDUYBLZ-UHFFFAOYSA-N |
Product Overview
3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine (CAS 420840-69-3), with molecular formula C18H17N3OS and molecular weight 323.11 g/mol. IUPAC: [3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-pyridin-3-ylmethanone.
Chemical Property Profile of 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine
Property Insights of 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine
The XLogP value of 3.9 indicates that 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine. Following Lipinski's Rule of Five, 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine has 0 hydrogen bond donor(s) and 4 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-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine?
The CAS number of 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine is 420840-69-3.
What is the molecular formula of 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine?
The molecular formula of 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine is C18H17N3OS.
What is the molecular weight of 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine?
The molecular weight of 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine is 323.11 g/mol.
Where can I buy 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine?
You can request a quote for 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.