Bionet1_000648
TL;DR: Bionet1_000648 (CAS 318239-39-3) is a chemical compound with molecular formula C12H7ClF3N3O2S and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: Bionet1_000648, 4F-428S, 5-[(4-chlorophenyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-(4-chlorobenzenesulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-(4-chlorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
| Molecular Formula | C12H7ClF3N3O2S |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 2.79678 |
| Topological Polar Surface Area | 75.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.98996 |
| Heavy Atoms | 22 |
| Complexity | 864.7471 |
Chemical Identifiers
| CAS Number | 318239-39-3 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)S(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
Bionet1_000648 (CAS 318239-39-3), with molecular formula C12H7ClF3N3O2S and molecular weight 348.99 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of Bionet1_000648
Property Insights of Bionet1_000648
The XLogP value of 2.79678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000648. The TPSA of 75.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000648. Following Lipinski's Rule of Five, Bionet1_000648 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_000648?
The CAS number of Bionet1_000648 is 318239-39-3.
What is the molecular formula of Bionet1_000648?
The molecular formula of Bionet1_000648 is C12H7ClF3N3O2S.
What is the molecular weight of Bionet1_000648?
The molecular weight of Bionet1_000648 is 348.99 g/mol.
Where can I buy Bionet1_000648?
You can request a quote for Bionet1_000648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000648?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.