(E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid
TL;DR: (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid (CAS 1164524-48-4) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]benzoic acid
Also Known As: (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid, 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethyl]amino]benzoic acid, 4-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic acid, 4-{[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]amino}benzoic acid
| Molecular Formula | C17H19N3O5 |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 1.8812 |
| Topological Polar Surface Area | 124.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.13248 |
| Heavy Atoms | 25 |
| Complexity | 922.77997 |
Chemical Identifiers
| CAS Number | 1164524-48-4 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NC2=CC=C(C=C2)C(=O)O)C)O |
Product Overview
(E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid (CAS 1164524-48-4), with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol. IUPAC: 4-[1-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]benzoic acid.
Chemical Property Profile of (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid
Property Insights of (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid
The XLogP value of 1.8812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid. The TPSA of 124.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid. Following Lipinski's Rule of Five, (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid 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)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid?
The CAS number of (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid is 1164524-48-4.
What is the molecular formula of (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid?
The molecular formula of (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid is C17H19N3O5.
What is the molecular weight of (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid?
The molecular weight of (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid is 345.13 g/mol.
Where can I buy (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid?
You can request a quote for (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.