![2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile structure](/static/products/374/37401-08-4.png)
2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile
TL;DR: 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile (CAS 37401-08-4) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile
Also Known As: (4-dimethylamino-3-nitro-benzylidene)-malononitrile, 2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile
| Molecular Formula | C12H10N4O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 2.09136 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.08037 |
| Heavy Atoms | 18 |
| Complexity | 575.07544 |
Chemical Identifiers
| CAS Number | 37401-08-4 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)C=C(C#N)C#N)[N+](=O)[O-] |
Product Overview
2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile (CAS 37401-08-4), with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol. IUPAC: 2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile.
Chemical Property Profile of 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile
Property Insights of 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile
The XLogP value of 2.09136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile has 0 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-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile?
The CAS number of 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile is 37401-08-4.
What is the molecular formula of 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile?
The molecular formula of 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile is C12H10N4O2.
What is the molecular weight of 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile?
The molecular weight of 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile is 242.08 g/mol.
Where can I buy 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile?
You can request a quote for 2-[[4-(Dimethylamino)-3-nitrophenyl]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-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(Dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.