![2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile structure](/static/products/1024/1024516-01-5.webp)
2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
TL;DR: 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile (CAS 1024516-01-5) is a chemical compound with molecular formula C12H8F3N3O and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
Also Known As: 2-[methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile, (METHOXY((3-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[methoxy-[3-(trifluoromethyl)anilino]methylene]propanedinitrile, 2-[methoxy-[[3-(trifluoromethyl)phenyl]amino]methylidene]propanedinitrile, Propanedinitrile, 2-[methoxy[[3-(trifluoromethyl)phenyl]amino]methylene]-
| Molecular Formula | C12H8F3N3O |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 3.02246 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.06195 |
| Heavy Atoms | 19 |
| Complexity | 563.10803 |
Chemical Identifiers
| CAS Number | 1024516-01-5 |
|---|---|
| SMILES | COC(=C(C#N)C#N)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile (CAS 1024516-01-5), with molecular formula C12H8F3N3O and molecular weight 267.06 g/mol. IUPAC: 2-[methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile.
Chemical Property Profile of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
Property Insights of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
The XLogP value of 3.02246 indicates that 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile 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 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
The CAS number of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is 1024516-01-5.
What is the molecular formula of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
The molecular formula of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is C12H8F3N3O.
What is the molecular weight of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
The molecular weight of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is 267.06 g/mol.
Where can I buy 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
You can request a quote for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.