Bionet1_000683
TL;DR: Bionet1_000683 (CAS 320419-29-2) is a chemical compound with molecular formula C16H10ClF3N4O and molecular weight 366.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one
Also Known As: Bionet1_000683, 1F-032, 2-(6-chloro-2-pyridinyl)-4-{[3-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one, (4Z)-1-(6-chloropyridin-2-yl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 2-(6-chloropyridin-2-yl)-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one
| Molecular Formula | C16H10ClF3N4O |
|---|---|
| Molecular Weight | 366.05 g/mol |
| LogP | 3.9834 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.04953 |
| Heavy Atoms | 25 |
| Complexity | 991.28516 |
Chemical Identifiers
| CAS Number | 320419-29-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=CNN(C2=O)C3=NC(=CC=C3)Cl)C(F)(F)F |
Product Overview
Bionet1_000683 (CAS 320419-29-2), with molecular formula C16H10ClF3N4O and molecular weight 366.05 g/mol. IUPAC: 2-(6-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one.
Chemical Property Profile of Bionet1_000683
Property Insights of Bionet1_000683
The XLogP value of 3.9834 indicates that Bionet1_000683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000683. Following Lipinski's Rule of Five, Bionet1_000683 has 1 hydrogen bond donor(s) and 3 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_000683?
The CAS number of Bionet1_000683 is 320419-29-2.
What is the molecular formula of Bionet1_000683?
The molecular formula of Bionet1_000683 is C16H10ClF3N4O.
What is the molecular weight of Bionet1_000683?
The molecular weight of Bionet1_000683 is 366.05 g/mol.
Where can I buy Bionet1_000683?
You can request a quote for Bionet1_000683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000683?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.