Bionet1_002090
TL;DR: Bionet1_002090 (CAS 339106-73-9) is a chemical compound with molecular formula C16H11ClF3N3O2 and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-[1-(dimethylamino)-4,4,4-trifluoro-3-oxobut-1-en-2-yl]-1,2-oxazole-4-carbonitrile
Also Known As: Bionet1_002090, 3-(2-chlorophenyl)-5-[2-(dimethylamino)-1-(2,2,2-trifluoroacetyl)vinyl]-4-isoxazolecarbonitrile, 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4,4,4-trifluoro-3-oxobut-1-en-2-yl]-1,2-oxazole-4-carbonitrile
| Molecular Formula | C16H11ClF3N3O2 |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 3.90058 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0492 |
| Heavy Atoms | 25 |
| Complexity | 879.4806 |
Chemical Identifiers
| CAS Number | 339106-73-9 |
|---|---|
| SMILES | CN(C)C=C(C1=C(C(=NO1)C2=CC=CC=C2Cl)C#N)C(=O)C(F)(F)F |
Product Overview
Bionet1_002090 (CAS 339106-73-9), with molecular formula C16H11ClF3N3O2 and molecular weight 369.05 g/mol. IUPAC: 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4,4,4-trifluoro-3-oxobut-1-en-2-yl]-1,2-oxazole-4-carbonitrile.
Chemical Property Profile of Bionet1_002090
Property Insights of Bionet1_002090
The XLogP value of 3.90058 indicates that Bionet1_002090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002090. Following Lipinski's Rule of Five, Bionet1_002090 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_002090?
The CAS number of Bionet1_002090 is 339106-73-9.
What is the molecular formula of Bionet1_002090?
The molecular formula of Bionet1_002090 is C16H11ClF3N3O2.
What is the molecular weight of Bionet1_002090?
The molecular weight of Bionet1_002090 is 369.05 g/mol.
Where can I buy Bionet1_002090?
You can request a quote for Bionet1_002090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002090?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.