![2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile structure](/static/products/150/150865-77-3.png)
2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile
TL;DR: 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile (CAS 150865-77-3) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-acetylanilino)methylidene]propanedinitrile
Also Known As: 2-[(4-acetylanilino)methylidene]propanedinitrile, 2-(((4-acetylphenyl)amino)methylene)malononitrile, 2-{[(4-ACETYLPHENYL)AMINO]METHYLIDENE}PROPANEDINITRILE
| Molecular Formula | C12H9N3O |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 2.23216 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.07455 |
| Heavy Atoms | 16 |
| Complexity | 484.55078 |
Chemical Identifiers
| CAS Number | 150865-77-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC=C(C#N)C#N |
Product Overview
2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile (CAS 150865-77-3), with molecular formula C12H9N3O and molecular weight 211.07 g/mol. IUPAC: 2-[(4-acetylanilino)methylidene]propanedinitrile.
Chemical Property Profile of 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile
Property Insights of 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile
The XLogP value of 2.23216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{[(4-Acetylphenyl)amino]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-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile?
The CAS number of 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile is 150865-77-3.
What is the molecular formula of 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile?
The molecular formula of 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile is C12H9N3O.
What is the molecular weight of 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile?
The molecular weight of 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile is 211.07 g/mol.
Where can I buy 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile?
You can request a quote for 2-{[(4-Acetylphenyl)amino]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-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Acetylphenyl)amino]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.