(E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate
TL;DR: (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate (CAS 374104-25-3) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[4-(cyanoamino)-7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoate
Also Known As: (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate, ethyl (E)-2-cyano-3-[4-(cyanoamino)-7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoate
| Molecular Formula | C20H20N4O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 3.00226 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.14847 |
| Heavy Atoms | 28 |
| Complexity | 1052.776 |
Chemical Identifiers
| CAS Number | 374104-25-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)/C=C(\C#N)/C(=O)OCC)NC#N |
Product Overview
(E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate (CAS 374104-25-3), with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol. IUPAC: ethyl (E)-2-cyano-3-[4-(cyanoamino)-7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoate.
Chemical Property Profile of (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate
Property Insights of (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate
The XLogP value of 3.00226 indicates that (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate. Following Lipinski's Rule of Five, (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate has 1 hydrogen bond donor(s) and 8 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 (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate?
The CAS number of (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate is 374104-25-3.
What is the molecular formula of (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate?
The molecular formula of (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate is C20H20N4O4.
What is the molecular weight of (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate?
The molecular weight of (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate is 380.15 g/mol.
Where can I buy (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate?
You can request a quote for (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(4-cyanamido-7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.