(((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile
TL;DR: (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 910417-90-2) is a chemical compound with molecular formula C16H11N3O and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenoxyanilino)methylidene]propanedinitrile
Also Known As: (((4-PHENOXYPHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[(4-phenoxyanilino)methylidene]propanedinitrile, 2-[(4-phenoxyanilino)methylene]propanedinitrile, 2-[[(4-phenoxyphenyl)amino]methylidene]propanedinitrile, 2-{[(4-phenoxyphenyl)amino]methylidene}propanedinitrile
| Molecular Formula | C16H11N3O |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 3.82186 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0902 |
| Heavy Atoms | 20 |
| Complexity | 660.4022 |
Chemical Identifiers
| CAS Number | 910417-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=C(C#N)C#N |
Product Overview
(((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 910417-90-2), with molecular formula C16H11N3O and molecular weight 261.09 g/mol. IUPAC: 2-[(4-phenoxyanilino)methylidene]propanedinitrile.
Chemical Property Profile of (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile
Property Insights of (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 3.82186 indicates that (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile 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 (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile 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 (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile is 910417-90-2.
What is the molecular formula of (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile is C16H11N3O.
What is the molecular weight of (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile is 261.09 g/mol.
Where can I buy (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (((4-Phenoxyphenyl)amino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.