1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate
TL;DR: 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate (CAS 647825-59-0) is a chemical compound with molecular formula C10H10ClF3N4O3S and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 5-chloro-1,3-dimethylpyrazole-4-sulfonate
Also Known As: 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate, [2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 5-chloro-1,3-dimethylpyrazole-4-sulfonate, 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonate, 2-methyl-5-(trifluoromethyl)pyrazol-3-yl 5-chloro-1,3-dimethylpyrazole-4-sulfonate, 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonate #
| Molecular Formula | C10H10ClF3N4O3S |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0114 |
| Heavy Atoms | 22 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 647825-59-0 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)OC2=CC(=NN2C)C(F)(F)F)Cl)C |
| InChIKey | ISDUAPKZQJGGBB-UHFFFAOYSA-N |
Product Overview
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate (CAS 647825-59-0), with molecular formula C10H10ClF3N4O3S and molecular weight 358.01 g/mol. IUPAC: [1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 5-chloro-1,3-dimethylpyrazole-4-sulfonate.
Chemical Property Profile of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate
Property Insights of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate. Following Lipinski's Rule of Five, 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate has 0 hydrogen bond donor(s) and 8 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-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate?
The CAS number of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate is 647825-59-0.
What is the molecular formula of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate?
The molecular formula of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate is C10H10ClF3N4O3S.
What is the molecular weight of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate?
The molecular weight of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate is 358.01 g/mol.
Where can I buy 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate?
You can request a quote for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.