![[1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile structure](/static/products/3391/339102-21-5.webp)
[1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile
TL;DR: [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile (CAS 339102-21-5) is a chemical compound with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(dimethylamino)-3-(4-nitroanilino)prop-2-enylidene]propanedinitrile
Also Known As: [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile, 2-[1-(dimethylamino)-3-(4-nitroanilino)-2-propenylidene]malononitrile, 2-[1-(dimethylamino)-3-(4-nitroanilino)prop-2-enylidene]propanedinitrile, 2-[1-(Dimethylamino)-3-[(4-nitrophenyl)amino]-2-propen-1-ylidene]propanedinitrile
| Molecular Formula | C14H13N5O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.38326 |
| Topological Polar Surface Area | 105.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.10693 |
| Heavy Atoms | 21 |
| Complexity | 644.09015 |
Chemical Identifiers
| CAS Number | 339102-21-5 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C=CNC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
[1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile (CAS 339102-21-5), with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol. IUPAC: 2-[1-(dimethylamino)-3-(4-nitroanilino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile
Property Insights of [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile
The XLogP value of 2.38326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile. The TPSA of 105.99 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile. Following Lipinski's Rule of Five, [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile has 1 hydrogen bond donor(s) and 6 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 [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile?
The CAS number of [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile is 339102-21-5.
What is the molecular formula of [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile?
The molecular formula of [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile is C14H13N5O2.
What is the molecular weight of [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile?
The molecular weight of [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile is 283.11 g/mol.
Where can I buy [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile?
You can request a quote for [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(Dimethylamino)-3-(4-nitroanilino)prop-2-en-1-ylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.