Bionet1_002642
TL;DR: Bionet1_002642 (CAS 321998-25-8) is a chemical compound with molecular formula C18H12F3N3S and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carbonitrile
Also Known As: Bionet1_002642, 10L-570S, 1-methyl-3-phenyl-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazole-4-carbonitrile, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carbonitrile
| Molecular Formula | C18H12F3N3S |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 5.12878 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.0704 |
| Heavy Atoms | 25 |
| Complexity | 940.43555 |
Chemical Identifiers
| CAS Number | 321998-25-8 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
Bionet1_002642 (CAS 321998-25-8), with molecular formula C18H12F3N3S and molecular weight 359.07 g/mol. IUPAC: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carbonitrile.
Chemical Property Profile of Bionet1_002642
Property Insights of Bionet1_002642
The XLogP value of 5.12878 indicates that Bionet1_002642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.61 Ų, Bionet1_002642 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_002642 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_002642?
The CAS number of Bionet1_002642 is 321998-25-8.
What is the molecular formula of Bionet1_002642?
The molecular formula of Bionet1_002642 is C18H12F3N3S.
What is the molecular weight of Bionet1_002642?
The molecular weight of Bionet1_002642 is 359.07 g/mol.
Where can I buy Bionet1_002642?
You can request a quote for Bionet1_002642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002642?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.