6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
TL;DR: 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile (CAS 1001519-35-2) is a chemical compound with molecular formula C12H10F2N4S and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile, 6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile, 6-Difluoromethyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercapto-nicotinonitrile, 6-(difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-sulfanylpyridine-3-carbonitrile, 6-(DIFLUOROMETHYL)-4-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-2-SULFANYL-3-PYRIDYL CYANIDE
| Molecular Formula | C12H10F2N4S |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 3.26239 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.05942 |
| Heavy Atoms | 19 |
| Complexity | 724.3062 |
Chemical Identifiers
| CAS Number | 1001519-35-2 |
|---|---|
| SMILES | CC1=C(C=NN1C)C2=C(C(=S)NC(=C2)C(F)F)C#N |
Product Overview
6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile (CAS 1001519-35-2), with molecular formula C12H10F2N4S and molecular weight 280.06 g/mol. IUPAC: 6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
Property Insights of 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
The XLogP value of 3.26239 indicates that 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile has 1 hydrogen bond donor(s) and 3 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 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
The CAS number of 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile is 1001519-35-2.
What is the molecular formula of 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
The molecular formula of 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile is C12H10F2N4S.
What is the molecular weight of 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
The molecular weight of 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile is 280.06 g/mol.
Where can I buy 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
You can request a quote for 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.