2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
TL;DR: 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid (CAS 866137-78-2) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
Also Known As: 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid, 8W-0223, 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid, 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid, 2-(4-benzyl-3-methyl-5-oxo-2H-pyrazol-1-yl)-4-oxo-3H-pyrimidine-5-carboxylic Acid
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 0.84632 |
| Topological Polar Surface Area | 120.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 1014.54694 |
Chemical Identifiers
| CAS Number | 866137-78-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC=C(C(=O)N2)C(=O)O)CC3=CC=CC=C3 |
Product Overview
2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid (CAS 866137-78-2), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
Chemical Property Profile of 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
Property Insights of 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
The XLogP value of 0.84632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid. The TPSA of 120.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid has 3 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 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid?
The CAS number of 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid is 866137-78-2.
What is the molecular formula of 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid?
The molecular formula of 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid is C16H14N4O4.
What is the molecular weight of 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid?
The molecular weight of 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid is 326.10 g/mol.
Where can I buy 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid?
You can request a quote for 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-benzyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.