(E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
TL;DR: (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide (CAS 383370-13-6) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[6-hydroxy-1-(2-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]phenyl]acetamide
Also Known As: (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide, N-[4-({(E)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)phenyl]acetamide, N-[4-[[(E)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]amino]phenyl]acetamide, N-[4-[[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 3.61811 |
| Topological Polar Surface Area | 99.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1177.2905 |
Chemical Identifiers
| CAS Number | 383370-13-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C=NC3=CC=C(C=C3)NC(=O)C)O |
Product Overview
(E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide (CAS 383370-13-6), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: N-[4-[[6-hydroxy-1-(2-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]phenyl]acetamide.
Chemical Property Profile of (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
Property Insights of (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
The XLogP value of 3.61811 indicates that (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide. Following Lipinski's Rule of Five, (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide has 3 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 (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The CAS number of (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is 383370-13-6.
What is the molecular formula of (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The molecular formula of (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is C20H18N4O3S.
What is the molecular weight of (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The molecular weight of (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is 394.11 g/mol.
Where can I buy (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
You can request a quote for (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-(((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.