1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid
TL;DR: 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid (CAS 338774-89-3) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: 3-benzylorotic acid, 1-benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid, 3-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid, 1-benzyl-2,6-dioxo-3H-pyrimidine-4-carboxylic Acid, 1-benzyl-6-hydroxy-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 0.2831 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 653.96387 |
Chemical Identifiers
| CAS Number | 338774-89-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C=C(NC2=O)C(=O)O |
Product Overview
1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid (CAS 338774-89-3), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: 3-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid
Property Insights of 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid
The XLogP value of 0.2831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid has 2 hydrogen bond donor(s) and 3 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 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid?
The CAS number of 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid is 338774-89-3.
What is the molecular formula of 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid?
The molecular formula of 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid is C12H10N2O4.
What is the molecular weight of 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid?
The molecular weight of 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid is 246.06 g/mol.
Where can I buy 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid?
You can request a quote for 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.