Bionet1_000835
TL;DR: Bionet1_000835 (CAS 324009-10-1) is a chemical compound with molecular formula C17H18F3N5O and molecular weight 365.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: Bionet1_000835, 9G-438S, 5-[4-(3-methoxyphenyl)piperazino]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile, 5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C17H18F3N5O |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 2.64578 |
| Topological Polar Surface Area | 57.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.14633 |
| Heavy Atoms | 26 |
| Complexity | 831.8995 |
Chemical Identifiers
| CAS Number | 324009-10-1 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)N2CCN(CC2)C3=CC(=CC=C3)OC |
Product Overview
Bionet1_000835 (CAS 324009-10-1), with molecular formula C17H18F3N5O and molecular weight 365.15 g/mol. IUPAC: 5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of Bionet1_000835
Property Insights of Bionet1_000835
The XLogP value of 2.64578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000835. With a topological polar surface area (TPSA) of 57.32 Ų, Bionet1_000835 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000835 has 0 hydrogen bond donor(s) and 5 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_000835?
The CAS number of Bionet1_000835 is 324009-10-1.
What is the molecular formula of Bionet1_000835?
The molecular formula of Bionet1_000835 is C17H18F3N5O.
What is the molecular weight of Bionet1_000835?
The molecular weight of Bionet1_000835 is 365.15 g/mol.
Where can I buy Bionet1_000835?
You can request a quote for Bionet1_000835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000835?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.