1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide
TL;DR: 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide (CAS 301331-80-6) is a chemical compound with molecular formula C17H17N5S and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazole-4-carbothioamide
Also Known As: 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide, AB00279209-02, F1541-0024, 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazole-4-carbothioamide
| Molecular Formula | C17H17N5S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.37516 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.12045 |
| Heavy Atoms | 23 |
| Complexity | 834.42523 |
Chemical Identifiers
| CAS Number | 301331-80-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=C(C=N2)C(=S)NC3=CC=CC=C3)C)C |
Product Overview
1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide (CAS 301331-80-6), with molecular formula C17H17N5S and molecular weight 323.12 g/mol. IUPAC: 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazole-4-carbothioamide.
Chemical Property Profile of 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide
Property Insights of 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide
The XLogP value of 3.37516 indicates that 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.63 Ų, 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide has 1 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 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide?
The CAS number of 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide is 301331-80-6.
What is the molecular formula of 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide?
The molecular formula of 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide is C17H17N5S.
What is the molecular weight of 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide?
The molecular weight of 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide is 323.12 g/mol.
Where can I buy 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide?
You can request a quote for 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenyl-1H-pyrazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.