12G-050
TL;DR: 12G-050 (CAS 306976-87-4) is a chemical compound with molecular formula C11H7ClF3N5S and molecular weight 333.0063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]acetonitrile
Also Known As: 12G-050, 2-[3-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1H-1,2,4-triazol-5-yl]acetonitrile, 2-[3-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1H-1,2,4-triazol-5-yl]acetonitrile, 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]acetonitrile
Technical Specifications
| Molecular Formula | C11H7ClF3N5S |
| Molecular Weight | 333.0063 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0063 Da |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
| SMILES | C1=C(C=NC(=C1Cl)SCC2=NC(=NN2)CC#N)C(F)(F)F |
| InChIKey | TXGTYFVXRVNTJT-UHFFFAOYSA-N |
Chemical Property Profile of 12G-050
Property Insights of 12G-050
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12G-050. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12G-050. Following Lipinski's Rule of Five, 12G-050 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 12G-050?
The CAS number of 12G-050 is 306976-87-4.
What is the molecular formula of 12G-050?
The molecular formula of 12G-050 is C11H7ClF3N5S.
What is the molecular weight of 12G-050?
The molecular weight of 12G-050 is 333.0063 g/mol.
Where can I buy 12G-050?
You can request a quote for 12G-050 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12G-050?
Yes, CoreyChem provides custom synthesis services for 12G-050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.