![4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid structure](/static/products/1620/16202-53-2.webp)
4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid
TL;DR: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid (CAS 16202-53-2) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid
Also Known As: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid, 4-{[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}benzoic acid
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 16202-53-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NCC2=CNC(=O)NC2=O |
| InChIKey | SIQDOOXAJVBXHW-UHFFFAOYSA-N |
Product Overview
4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid (CAS 16202-53-2), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid
Property Insights of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid
The XLogP value of -0.6 indicates that 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]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-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid?
The CAS number of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid is 16202-53-2.
What is the molecular formula of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid?
The molecular formula of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid is C12H11N3O4.
What is the molecular weight of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid?
The molecular weight of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid is 261.07 g/mol.
Where can I buy 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid?
You can request a quote for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]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-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.