![2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile structure](/static/products/4390/439094-26-5.webp)
2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile
TL;DR: 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile (CAS 439094-26-5) is a chemical compound with molecular formula C15H8F3N3O and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]methylidene]propanedinitrile
Also Known As: 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile, 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylidene)propanedinitrile, 11R-0636, 2-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]methylidene]propanedinitrile, 2-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]methylene]propanedinitrile
| Molecular Formula | C15H8F3N3O |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 3.80646 |
| Topological Polar Surface Area | 61.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.06195 |
| Heavy Atoms | 22 |
| Complexity | 758.0896 |
Chemical Identifiers
| CAS Number | 439094-26-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=CC(=C2)C=C(C#N)C#N)OC(F)(F)F |
Product Overview
2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile (CAS 439094-26-5), with molecular formula C15H8F3N3O and molecular weight 303.06 g/mol. IUPAC: 2-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile
Property Insights of 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile
The XLogP value of 3.80646 indicates that 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile. Following Lipinski's Rule of Five, 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile has 0 hydrogen bond donor(s) and 3 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-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile?
The CAS number of 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile is 439094-26-5.
What is the molecular formula of 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile?
The molecular formula of 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile is C15H8F3N3O.
What is the molecular weight of 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile?
The molecular weight of 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile is 303.06 g/mol.
Where can I buy 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile?
You can request a quote for 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.