Bionet1_004008
TL;DR: Bionet1_004008 (CAS 477870-79-4) is a chemical compound with molecular formula C15H13F3N6O4 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-nitroanilino)-2-oxo-2-[2-(6,6,6-trifluoro-5-oxohexan-3-ylidene)hydrazinyl]ethanimidoyl cyanide
Also Known As: Bionet1_004008, DivK1c_002504, CDS1_001464, 2-cyano-N'-[(E)-1-ethyl-4,4,4-trifluoro-3-oxobutylidene]-2-[(E)-2-(2-nitrophenyl)hydrazono]acetohydrazide, N-(2-nitroanilino)-2-oxo-2-[2-(6,6,6-trifluoro-5-oxohexan-3-ylidene)hydrazinyl]ethanimidoyl cyanide
| Molecular Formula | C15H13F3N6O4 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.28998 |
| Topological Polar Surface Area | 149.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.09503 |
| Heavy Atoms | 28 |
| Complexity | 873.2626 |
Chemical Identifiers
| CAS Number | 477870-79-4 |
|---|---|
| SMILES | CCC(=NNC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C#N)CC(=O)C(F)(F)F |
Product Overview
Bionet1_004008 (CAS 477870-79-4), with molecular formula C15H13F3N6O4 and molecular weight 398.10 g/mol. IUPAC: N-(2-nitroanilino)-2-oxo-2-[2-(6,6,6-trifluoro-5-oxohexan-3-ylidene)hydrazinyl]ethanimidoyl cyanide.
Chemical Property Profile of Bionet1_004008
Property Insights of Bionet1_004008
The XLogP value of 2.28998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004008. The TPSA of 149.85 Ų indicates high polarity, suggesting Bionet1_004008 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bionet1_004008 has 2 hydrogen bond donor(s) and 8 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_004008?
The CAS number of Bionet1_004008 is 477870-79-4.
What is the molecular formula of Bionet1_004008?
The molecular formula of Bionet1_004008 is C15H13F3N6O4.
What is the molecular weight of Bionet1_004008?
The molecular weight of Bionet1_004008 is 398.10 g/mol.
Where can I buy Bionet1_004008?
You can request a quote for Bionet1_004008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004008?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.