![[(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide structure](/static/products/771/77119-90-5.png)
[(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide
TL;DR: [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide (CAS 77119-90-5) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-(dimethylamino)-3,3-diethoxyprop-1-en-2-yl]iminopropanedinitrile
Also Known As: [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.27666 |
| Topological Polar Surface Area | 81.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 365.86203 |
Chemical Identifiers
| CAS Number | 77119-90-5 |
|---|---|
| SMILES | CCOC(/C(=C\N(C)C)/N=C(C#N)C#N)OCC |
Product Overview
[(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide (CAS 77119-90-5), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: 2-[(E)-1-(dimethylamino)-3,3-diethoxyprop-1-en-2-yl]iminopropanedinitrile.
Chemical Property Profile of [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide
Property Insights of [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide
The XLogP value of 1.27666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide. The TPSA of 81.64 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide. Following Lipinski's Rule of Five, [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide has 0 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 [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide?
The CAS number of [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide is 77119-90-5.
What is the molecular formula of [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide?
The molecular formula of [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide is C12H18N4O2.
What is the molecular weight of [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide?
The molecular weight of [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide is 250.14 g/mol.
Where can I buy [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide?
You can request a quote for [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide?
Yes, KEHONG BIO provides custom synthesis services for [(1E)-1-(Dimethylamino)-3,3-diethoxyprop-1-en-2-yl]carbonimidoyl dicyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.