![2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile structure](/static/products/3387/338773-92-5.webp)
2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile
TL;DR: 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile (CAS 338773-92-5) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,5-dimethoxyanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile
Also Known As: 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile, 2-[3-(2,5-dimethoxyanilino)-1-(dimethylamino)-2-propenylidene]malononitrile, 2-[3-(2,5-dimethoxyanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 2.49226 |
| Topological Polar Surface Area | 81.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 647.70386 |
Chemical Identifiers
| CAS Number | 338773-92-5 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C=CNC1=C(C=CC(=C1)OC)OC |
Product Overview
2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile (CAS 338773-92-5), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: 2-[3-(2,5-dimethoxyanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile
Property Insights of 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile
The XLogP value of 2.49226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile. The TPSA of 81.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)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 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
The CAS number of 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile is 338773-92-5.
What is the molecular formula of 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
The molecular formula of 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile is C16H18N4O2.
What is the molecular weight of 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
The molecular weight of 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile is 298.14 g/mol.
Where can I buy 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
You can request a quote for 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)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 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[(2,5-dimethoxyphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.