![2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile structure](/static/products/6776/67769-58-8.webp)
2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile
TL;DR: 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile (CAS 67769-58-8) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-2-nitroanilino)methylidene]propanedinitrile
Also Known As: 2-{[(4-methyl-2-nitrophenyl)amino]methylidene}propanedinitrile, 2-[(4-methyl-2-nitroanilino)methylene]malononitrile, 2-[(4-methyl-2-nitroanilino)methylidene]propanedinitrile, 2-[(4-methyl-2-nitro-anilino)methylene]propanedinitrile, (((4-METHYL-2-NITROPHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.24618 |
| Topological Polar Surface Area | 102.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 547.81464 |
Chemical Identifiers
| CAS Number | 67769-58-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC=C(C#N)C#N)[N+](=O)[O-] |
Product Overview
2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile (CAS 67769-58-8), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: 2-[(4-methyl-2-nitroanilino)methylidene]propanedinitrile.
Chemical Property Profile of 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile
Property Insights of 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile
The XLogP value of 2.24618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile. The TPSA of 102.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile has 1 hydrogen bond donor(s) and 5 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-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile?
The CAS number of 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile is 67769-58-8.
What is the molecular formula of 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile?
The molecular formula of 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile is C11H8N4O2.
What is the molecular weight of 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile?
The molecular weight of 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile is 228.06 g/mol.
Where can I buy 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile?
You can request a quote for 2-{[(4-Methyl-2-nitrophenyl)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-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Methyl-2-nitrophenyl)amino]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.