Bionet1_000833
TL;DR: Bionet1_000833 (CAS 324009-07-6) is a chemical compound with molecular formula C16H15F4N5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: Bionet1_000833, 9G-431S, 5-[4-(2-fluorophenyl)piperazino]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
| Molecular Formula | C16H15F4N5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 2.77628 |
| Topological Polar Surface Area | 48.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.12637 |
| Heavy Atoms | 25 |
| Complexity | 812.90814 |
Chemical Identifiers
| CAS Number | 324009-07-6 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C3=CC=CC=C3F |
Product Overview
Bionet1_000833 (CAS 324009-07-6), with molecular formula C16H15F4N5 and molecular weight 353.13 g/mol. IUPAC: 5-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of Bionet1_000833
Property Insights of Bionet1_000833
The XLogP value of 2.77628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000833. With a topological polar surface area (TPSA) of 48.09 Ų, Bionet1_000833 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000833 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_000833?
The CAS number of Bionet1_000833 is 324009-07-6.
What is the molecular formula of Bionet1_000833?
The molecular formula of Bionet1_000833 is C16H15F4N5.
What is the molecular weight of Bionet1_000833?
The molecular weight of Bionet1_000833 is 353.13 g/mol.
Where can I buy Bionet1_000833?
You can request a quote for Bionet1_000833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000833?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.