![4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid structure](/static/products/7354/73541-53-4.webp)
4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
TL;DR: 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid (CAS 73541-53-4) 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-6-yl)methylamino]benzoic acid
Also Known As: 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid, 4-{[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}benzoic acid
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 0.0 |
| 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 | 73541-53-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NCC2=CC(=O)NC(=O)N2 |
| InChIKey | QFDJKUKERMPFHV-UHFFFAOYSA-N |
Product Overview
4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid (CAS 73541-53-4), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
Property Insights of 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(2,4-dioxo-1H-pyrimidin-6-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-6-yl)methylamino]benzoic acid?
The CAS number of 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid is 73541-53-4.
What is the molecular formula of 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid?
The molecular formula of 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid is C12H11N3O4.
What is the molecular weight of 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid?
The molecular weight of 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid is 261.07 g/mol.
Where can I buy 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid?
You can request a quote for 4-[(2,4-dioxo-1H-pyrimidin-6-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-6-yl)methylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.