![2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile structure](/static/products/4454/445465-07-6.webp)
2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile
TL;DR: 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile (CAS 445465-07-6) is a chemical compound with molecular formula C13H8F5N3O and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2,3,3,3-pentafluoro-1-(4-methoxyanilino)propylidene]propanedinitrile
Also Known As: ChemDiv3_002712, AB01320121-02, BRD-K73701942-001-01-9, A2740/0116415, 2-[1-(4-Methoxyanilino)perfluoropropylidene]propanedinitrile
| Molecular Formula | C13H8F5N3O |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.05875 |
| Heavy Atoms | 22 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 445465-07-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=C(C#N)C#N)C(C(F)(F)F)(F)F |
| InChIKey | CIQKKVBYLKIOTB-UHFFFAOYSA-N |
Product Overview
2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile (CAS 445465-07-6), with molecular formula C13H8F5N3O and molecular weight 317.06 g/mol. IUPAC: 2-[2,2,3,3,3-pentafluoro-1-(4-methoxyanilino)propylidene]propanedinitrile.
Chemical Property Profile of 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile
Property Insights of 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile
The XLogP value of 3.8 indicates that 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile. Following Lipinski's Rule of Five, 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile has 1 hydrogen bond donor(s) and 9 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-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile?
The CAS number of 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile is 445465-07-6.
What is the molecular formula of 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile?
The molecular formula of 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile is C13H8F5N3O.
What is the molecular weight of 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile?
The molecular weight of 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile is 317.06 g/mol.
Where can I buy 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile?
You can request a quote for 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.