(E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
TL;DR: (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 380873-55-2) is a chemical compound with molecular formula C26H30N4O6 and molecular weight 494.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
Also Known As: (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, 2-diethylaminoethyl 4-[[(E)-[1-[(4-methoxyphenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoate, 2-diethylaminoethyl 4-[[1-[(4-methoxyphenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoate
| Molecular Formula | C26H30N4O6 |
|---|---|
| Molecular Weight | 494.22 g/mol |
| LogP | 2.5483 |
| Topological Polar Surface Area | 126.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.21652 |
| Heavy Atoms | 36 |
| Complexity | 1306.2465 |
Chemical Identifiers
| CAS Number | 380873-55-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)NC2=O)CC3=CC=C(C=C3)OC)O |
Product Overview
(E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 380873-55-2), with molecular formula C26H30N4O6 and molecular weight 494.22 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate.
Chemical Property Profile of (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
Property Insights of (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
The XLogP value of 2.5483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate. The TPSA of 126.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate has 2 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)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The CAS number of (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 380873-55-2.
What is the molecular formula of (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular formula of (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is C26H30N4O6.
What is the molecular weight of (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular weight of (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 494.22 g/mol.
Where can I buy (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
You can request a quote for (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)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-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(diethylamino)ethyl 4-(((1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.