Bionet1_004012
TL;DR: Bionet1_004012 (CAS 477870-87-4) is a chemical compound with molecular formula C14H11F3N6O4 and molecular weight 384.08 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-(5,5,5-trifluoro-4-oxopentan-2-ylidene)hydrazinyl]ethanimidoyl cyanide
Also Known As: Bionet1_004012, DivK1c_002508, CDS1_001468, 2-cyano-2-[(E)-2-(2-nitrophenyl)hydrazono]-N'-[(E)-4,4,4-trifluoro-1-methyl-3-oxobutylidene]acetohydrazide, N-(2-nitroanilino)-2-oxo-2-[2-(5,5,5-trifluoro-4-oxopentan-2-ylidene)hydrazinyl]ethanimidoyl cyanide
| Molecular Formula | C14H11F3N6O4 |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 1.89988 |
| Topological Polar Surface Area | 149.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.07938 |
| Heavy Atoms | 27 |
| Complexity | 857.144 |
Chemical Identifiers
| CAS Number | 477870-87-4 |
|---|---|
| SMILES | CC(=NNC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C#N)CC(=O)C(F)(F)F |
Product Overview
Bionet1_004012 (CAS 477870-87-4), with molecular formula C14H11F3N6O4 and molecular weight 384.08 g/mol. IUPAC: N-(2-nitroanilino)-2-oxo-2-[2-(5,5,5-trifluoro-4-oxopentan-2-ylidene)hydrazinyl]ethanimidoyl cyanide.
Chemical Property Profile of Bionet1_004012
Property Insights of Bionet1_004012
The XLogP value of 1.89988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004012. The TPSA of 149.85 Ų indicates high polarity, suggesting Bionet1_004012 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bionet1_004012 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_004012?
The CAS number of Bionet1_004012 is 477870-87-4.
What is the molecular formula of Bionet1_004012?
The molecular formula of Bionet1_004012 is C14H11F3N6O4.
What is the molecular weight of Bionet1_004012?
The molecular weight of Bionet1_004012 is 384.08 g/mol.
Where can I buy Bionet1_004012?
You can request a quote for Bionet1_004012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004012?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.