![[2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate structure](/static/products/1240/124079-85-2.webp)
[2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate
TL;DR: [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate (CAS 124079-85-2) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate
Also Known As: [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate, Acetic acid, 2-(2,2-dicyanoethenyl)-5-diethylaminophenyl ester, 2-(2,2-Dicyanovinyl)-5-(diethylamino)phenyl acetate, 2-cyano-3-(4-diethylamino-2-acetoxyphenyl)acrylonitrile, 2-(2,2-Dicyanovinyl)-5-(diethylamino)phenyl acetate #
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 124079-85-2 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C#N)OC(=O)C |
| InChIKey | JJBFDYQYAKTQJC-UHFFFAOYSA-N |
Product Overview
[2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate (CAS 124079-85-2), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate.
Chemical Property Profile of [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate
Property Insights of [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate. Following Lipinski's Rule of Five, [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate 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-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate?
The CAS number of [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate is 124079-85-2.
What is the molecular formula of [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate?
The molecular formula of [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate is C16H17N3O2.
What is the molecular weight of [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate?
The molecular weight of [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate is 283.13 g/mol.
Where can I buy [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate?
You can request a quote for [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.