![4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid structure](/static/products/3389/338989-14-3.webp)
4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
TL;DR: 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid (CAS 338989-14-3) is a chemical compound with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoic acid
Also Known As: 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid, A0156/0006939, 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid, 4-[[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid, 4-([(2,4,6-Trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino)benzoic acid
| Molecular Formula | C12H9N3O5 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.05423 |
| Heavy Atoms | 20 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 338989-14-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N=CC2=C(NC(=O)NC2=O)O |
| InChIKey | VUFHEIJMZSQQIR-UHFFFAOYSA-N |
Product Overview
4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid (CAS 338989-14-3), with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol. IUPAC: 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoic acid.
Chemical Property Profile of 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
Property Insights of 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
The XLogP value of -0.1 indicates that 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid has 4 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-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid?
The CAS number of 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid is 338989-14-3.
What is the molecular formula of 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid?
The molecular formula of 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid is C12H9N3O5.
What is the molecular weight of 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid?
The molecular weight of 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid is 275.05 g/mol.
Where can I buy 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid?
You can request a quote for 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]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-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.