Bionet1_002886
TL;DR: Bionet1_002886 (CAS 338773-54-9) is a chemical compound with molecular formula C16H12F6N4 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[3,5-bis(trifluoromethyl)anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile
Also Known As: Bionet1_002886, 2-[3-[3,5-bis(trifluoromethyl)anilino]-1-(dimethylamino)-2-propenylidene]malononitrile, 2-[3-[3,5-bis(trifluoromethyl)anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile
| Molecular Formula | C16H12F6N4 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 4.51266 |
| Topological Polar Surface Area | 62.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.09662 |
| Heavy Atoms | 26 |
| Complexity | 755.7398 |
Chemical Identifiers
| CAS Number | 338773-54-9 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C=CNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Product Overview
Bionet1_002886 (CAS 338773-54-9), with molecular formula C16H12F6N4 and molecular weight 374.10 g/mol. IUPAC: 2-[3-[3,5-bis(trifluoromethyl)anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of Bionet1_002886
Property Insights of Bionet1_002886
The XLogP value of 4.51266 indicates that Bionet1_002886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002886. Following Lipinski's Rule of Five, Bionet1_002886 has 1 hydrogen bond donor(s) and 4 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_002886?
The CAS number of Bionet1_002886 is 338773-54-9.
What is the molecular formula of Bionet1_002886?
The molecular formula of Bionet1_002886 is C16H12F6N4.
What is the molecular weight of Bionet1_002886?
The molecular weight of Bionet1_002886 is 374.10 g/mol.
Where can I buy Bionet1_002886?
You can request a quote for Bionet1_002886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002886?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.