![4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid structure](/static/products/578/578755-94-9.png)
4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid
TL;DR: 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid (CAS 578755-94-9) is a chemical compound with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]benzoic acid
Also Known As: 4-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid, 4-((1-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid, 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid
| Molecular Formula | C13H11N3O5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 0.6077 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0699 |
| Heavy Atoms | 21 |
| Complexity | 830.1206 |
Chemical Identifiers
| CAS Number | 578755-94-9 |
|---|---|
| SMILES | CC(=NC1=CC=C(C=C1)C(=O)O)C2=C(NC(=O)NC2=O)O |
Product Overview
4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid (CAS 578755-94-9), with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol. IUPAC: 4-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]benzoic acid.
Chemical Property Profile of 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid
Property Insights of 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid
The XLogP value of 0.6077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid has 4 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 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid?
The CAS number of 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid is 578755-94-9.
What is the molecular formula of 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid?
The molecular formula of 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid is C13H11N3O5.
What is the molecular weight of 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid?
The molecular weight of 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid is 289.07 g/mol.
Where can I buy 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid?
You can request a quote for 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-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 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.