![Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate structure](/static/products/3387/338773-56-1.webp)
Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate
TL;DR: Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate (CAS 338773-56-1) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4,4-dicyano-3-(dimethylamino)buta-1,3-dienyl]amino]acetate
Also Known As: ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate, ethyl 2-{[4,4-dicyano-3-(dimethylamino)-1,3-butadienyl]amino}acetate, Ethyl 2-[(4,4-dicyano-3-dimethylamino-buta-1,3-dienyl)amino]acetate, ethyl 2-[[4,4-dicyano-3-(dimethylamino)buta-1,3-dienyl]amino]acetate
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 0.51566 |
| Topological Polar Surface Area | 89.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 408.3388 |
Chemical Identifiers
| CAS Number | 338773-56-1 |
|---|---|
| SMILES | CCOC(=O)CNC=CC(=C(C#N)C#N)N(C)C |
Product Overview
Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate (CAS 338773-56-1), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: ethyl 2-[[4,4-dicyano-3-(dimethylamino)buta-1,3-dienyl]amino]acetate.
Chemical Property Profile of Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate
Property Insights of Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate
The XLogP value of 0.51566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate. The TPSA of 89.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate. Following Lipinski's Rule of Five, Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate 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 Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate?
The CAS number of Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate is 338773-56-1.
What is the molecular formula of Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate?
The molecular formula of Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate is C12H16N4O2.
What is the molecular weight of Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate?
The molecular weight of Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate is 248.13 g/mol.
Where can I buy Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate?
You can request a quote for Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.