(E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate
TL;DR: (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate (CAS 796877-23-1) is a chemical compound with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate
Also Known As: (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate, F1291-0421, 2-(DIETHYLAMINO)ETHYL 4-{[(1E)-2-CYANO-2-(4-PHENYL-1,3-THIAZOL-2-YL)ETH-1-EN-1-YL]AMINO}BENZOATE, 2-(diethylamino)ethyl 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate, 2-(diethylamino)ethyl 4-{[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate
| Molecular Formula | C25H26N4O2S |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 5.28528 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.17764 |
| Heavy Atoms | 32 |
| Complexity | 1081.1346 |
Chemical Identifiers
| CAS Number | 796877-23-1 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3 |
Product Overview
(E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate (CAS 796877-23-1), with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate.
Chemical Property Profile of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate
Property Insights of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate
The XLogP value of 5.28528 indicates that (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate?
The CAS number of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate is 796877-23-1.
What is the molecular formula of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate?
The molecular formula of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate is C25H26N4O2S.
What is the molecular weight of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate?
The molecular weight of (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate is 446.18 g/mol.
Where can I buy (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate?
You can request a quote for (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.