(E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
TL;DR: (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 378766-07-5) is a chemical compound with molecular formula C27H32N4O4S and molecular weight 508.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[6-hydroxy-4-oxo-1-(4-propan-2-ylphenyl)-2-sulfanylidenepyrimidin-5-yl]methylideneamino]benzoate
Also Known As: (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, 2-diethylaminoethyl 4-[[(E)-[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]amino]benzoate, 2-diethylaminoethyl 4-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate
| Molecular Formula | C27H32N4O4S |
|---|---|
| Molecular Weight | 508.21 g/mol |
| LogP | 4.97329 |
| Topological Polar Surface Area | 99.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 508.21442 |
| Heavy Atoms | 36 |
| Complexity | 1321.865 |
Chemical Identifiers
| CAS Number | 378766-07-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=S)NC2=O)C3=CC=C(C=C3)C(C)C)O |
Product Overview
(E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 378766-07-5), with molecular formula C27H32N4O4S and molecular weight 508.21 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[6-hydroxy-4-oxo-1-(4-propan-2-ylphenyl)-2-sulfanylidenepyrimidin-5-yl]methylideneamino]benzoate.
Chemical Property Profile of (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
Property Insights of (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
The XLogP value of 4.97329 indicates that (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate has 2 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-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The CAS number of (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 378766-07-5.
What is the molecular formula of (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular formula of (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is C27H32N4O4S.
What is the molecular weight of (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular weight of (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 508.21 g/mol.
Where can I buy (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
You can request a quote for (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-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-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(diethylamino)ethyl 4-(((1-(4-isopropylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.