4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid
TL;DR: 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid (CAS 54185-33-0) is a chemical compound with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid
Also Known As: 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid, UPCMLD00WDMA007462:001, 4-(2,4,6-TRIOXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BENZOIC ACID, 4-(2,4,6-trioxo-1,3-diazinan-1-yl)benzoic Acid, 3-amino-5-methyl-1H-pyrazole-4-carboxamide
| Molecular Formula | C11H8N2O5 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 0.3577 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.04332 |
| Heavy Atoms | 18 |
| Complexity | 529.05695 |
Chemical Identifiers
| CAS Number | 54185-33-0 |
|---|---|
| SMILES | C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid (CAS 54185-33-0), with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol. IUPAC: 4-(2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid.
Chemical Property Profile of 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid
Property Insights of 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid
The XLogP value of 0.3577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid has 2 hydrogen bond donor(s) and 4 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-1(2H)-yl)benzoic acid?
The CAS number of 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid is 54185-33-0.
What is the molecular formula of 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid?
The molecular formula of 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid is C11H8N2O5.
What is the molecular weight of 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid?
The molecular weight of 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid is 248.04 g/mol.
Where can I buy 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid?
You can request a quote for 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)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-1(2H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.