Bionet1_000686
TL;DR: Bionet1_000686 (CAS 318517-88-3) is a chemical compound with molecular formula C13H7F6N3O2S and molecular weight 383.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-4-carbonitrile
Also Known As: Bionet1_000686, 1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazole-4-carbonitrile, 6F-327S, 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzenesulfonyl]-1H-pyrazole-4-carbonitrile, 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-4-carbonitrile
| Molecular Formula | C13H7F6N3O2S |
|---|---|
| Molecular Weight | 383.02 g/mol |
| LogP | 3.16218 |
| Topological Polar Surface Area | 75.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.01633 |
| Heavy Atoms | 25 |
| Complexity | 967.1164 |
Chemical Identifiers
| CAS Number | 318517-88-3 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
Bionet1_000686 (CAS 318517-88-3), with molecular formula C13H7F6N3O2S and molecular weight 383.02 g/mol. IUPAC: 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-4-carbonitrile.
Chemical Property Profile of Bionet1_000686
Property Insights of Bionet1_000686
The XLogP value of 3.16218 indicates that Bionet1_000686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000686. Following Lipinski's Rule of Five, Bionet1_000686 has 0 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 Bionet1_000686?
The CAS number of Bionet1_000686 is 318517-88-3.
What is the molecular formula of Bionet1_000686?
The molecular formula of Bionet1_000686 is C13H7F6N3O2S.
What is the molecular weight of Bionet1_000686?
The molecular weight of Bionet1_000686 is 383.02 g/mol.
Where can I buy Bionet1_000686?
You can request a quote for Bionet1_000686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000686?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.