2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile
TL;DR: 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile (CAS 343375-42-8) 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-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethylidene]propanedinitrile
Also Known As: Bionet2_001441, 2-(1-amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)malononitrile, 2-(1-amino-2-[3-(trifluoromethyl)phenoxy]ethylidene)malononitrile, 0949AE, 2-{1-Amino-2-[3-(trifluoromethyl)phenoxy]ethylidene}malononitrile
| Molecular Formula | C12H8F3N3O |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.34416 |
| Topological Polar Surface Area | 82.83 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 | 343375-42-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC(=C(C#N)C#N)N)C(F)(F)F |
Product Overview
2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile (CAS 343375-42-8), with molecular formula C12H8F3N3O and molecular weight 267.06 g/mol. IUPAC: 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethylidene]propanedinitrile.
Chemical Property Profile of 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile
Property Insights of 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile
The XLogP value of 2.34416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile. The TPSA of 82.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)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-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile?
The CAS number of 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile is 343375-42-8.
What is the molecular formula of 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile?
The molecular formula of 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile is C12H8F3N3O.
What is the molecular weight of 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile?
The molecular weight of 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile is 267.06 g/mol.
Where can I buy 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile?
You can request a quote for 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Amino-2-(3-(trifluoromethyl)phenoxy)ethylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.