4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid
TL;DR: 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid (CAS 797799-42-9) is a chemical compound with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]anilino]-4-oxobutanoic acid
Also Known As: 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid, 4-[(2-{[1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl]amino}phenyl)amino]-4-oxobutanoic acid, 4-[2-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]anilino]-4-oxobutanoic acid
| Molecular Formula | C19H22N4O6 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 1.1237 |
| Topological Polar Surface Area | 142.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.15393 |
| Heavy Atoms | 29 |
| Complexity | 1096.8538 |
Chemical Identifiers
| CAS Number | 797799-42-9 |
|---|---|
| SMILES | CCC(=NC1=CC=CC=C1NC(=O)CCC(=O)O)C2=C(N(C(=O)N(C2=O)C)C)O |
Product Overview
4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid (CAS 797799-42-9), with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol. IUPAC: 4-[2-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid
Property Insights of 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid
The XLogP value of 1.1237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid. The TPSA of 142.99 Ų indicates high polarity, suggesting 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 6 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 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid?
The CAS number of 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid is 797799-42-9.
What is the molecular formula of 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid is C19H22N4O6.
What is the molecular weight of 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid is 402.15 g/mol.
Where can I buy 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.