(E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
TL;DR: (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide (CAS 714921-96-7) is a chemical compound with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]phenyl]acetamide
Also Known As: (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide, N-(2-{[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}phenyl)acetamide, N-[2-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]phenyl]acetamide, N-[2-[[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino]phenyl]acetamide
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.65539 |
| Topological Polar Surface Area | 99.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 941.0692 |
Chemical Identifiers
| CAS Number | 714921-96-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1N=CC2=C(N(C(=S)NC2=O)C3CC3)O |
Product Overview
(E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide (CAS 714921-96-7), with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol. IUPAC: N-[2-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]phenyl]acetamide.
Chemical Property Profile of (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
Property Insights of (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
The XLogP value of 2.65539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide. The TPSA of 99.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide. Following Lipinski's Rule of Five, (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-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-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The CAS number of (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is 714921-96-7.
What is the molecular formula of (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The molecular formula of (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is C16H16N4O3S.
What is the molecular weight of (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
The molecular weight of (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide is 344.09 g/mol.
Where can I buy (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
You can request a quote for (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-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-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.