Bionet1_002786
TL;DR: Bionet1_002786 (CAS 338400-94-5) is a chemical compound with molecular formula C14H14ClF3N4O4 and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Also Known As: Bionet1_002786, ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylate, ethyl 5-{N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylhydrazinecarbonyl}-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylate, Ethyl 5-({2-3-chloro-5-(trifluoromethyl)-2-pyridinyl-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylate
| Molecular Formula | C14H14ClF3N4O4 |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 1.9292 |
| Topological Polar Surface Area | 93.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.06558 |
| Heavy Atoms | 26 |
| Complexity | 741.39233 |
Chemical Identifiers
| CAS Number | 338400-94-5 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)C(=O)NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_002786 (CAS 338400-94-5), with molecular formula C14H14ClF3N4O4 and molecular weight 394.07 g/mol. IUPAC: ethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Bionet1_002786
Property Insights of Bionet1_002786
The XLogP value of 1.9292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002786. The TPSA of 93.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002786. Following Lipinski's Rule of Five, Bionet1_002786 has 1 hydrogen bond donor(s) and 7 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_002786?
The CAS number of Bionet1_002786 is 338400-94-5.
What is the molecular formula of Bionet1_002786?
The molecular formula of Bionet1_002786 is C14H14ClF3N4O4.
What is the molecular weight of Bionet1_002786?
The molecular weight of Bionet1_002786 is 394.07 g/mol.
Where can I buy Bionet1_002786?
You can request a quote for Bionet1_002786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002786?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.