![4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile structure](/static/products/959/959575-10-1.png)
4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile
TL;DR: 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile (CAS 959575-10-1) is a chemical compound with molecular formula C19H11F6N3OS2 and molecular weight 475.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carbonitrile
Also Known As: 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile, 4-[1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carbonitrile, 4-{1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl}-3-methyl-5-(methylsulfanyl)thiophene-2-carbonitrile
| Molecular Formula | C19H11F6N3OS2 |
|---|---|
| Molecular Weight | 475.02 g/mol |
| LogP | 6.2397 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.02478 |
| Heavy Atoms | 31 |
| Complexity | 1168.6671 |
Chemical Identifiers
| CAS Number | 959575-10-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C2=NN(C=C2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)SC)C#N |
Product Overview
4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile (CAS 959575-10-1), with molecular formula C19H11F6N3OS2 and molecular weight 475.02 g/mol. IUPAC: 4-[1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carbonitrile.
Chemical Property Profile of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile
Property Insights of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile
The XLogP value of 6.2397 indicates that 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile?
The CAS number of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile is 959575-10-1.
What is the molecular formula of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile?
The molecular formula of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile is C19H11F6N3OS2.
What is the molecular weight of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile?
The molecular weight of 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile is 475.02 g/mol.
Where can I buy 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile?
You can request a quote for 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.