4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid
TL;DR: 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid (CAS 849924-98-7) is a chemical compound with molecular formula C14H10N4O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoic acid
Also Known As: 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid, Peakdale1_001964, 4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoic acid, 4-(4-(Pyrimidin-4-yl)-1H-pyrazol-1-yl)benzoic acid, 0640AF
| Molecular Formula | C14H10N4O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.0275 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.08038 |
| Heavy Atoms | 20 |
| Complexity | 735.3802 |
Chemical Identifiers
| CAS Number | 849924-98-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N2C=C(C=N2)C3=NC=NC=C3 |
Product Overview
4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid (CAS 849924-98-7), with molecular formula C14H10N4O2 and molecular weight 266.08 g/mol. IUPAC: 4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoic acid.
Chemical Property Profile of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid
Property Insights of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 2.0275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid has 1 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-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid is 849924-98-7.
What is the molecular formula of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid is C14H10N4O2.
What is the molecular weight of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid is 266.08 g/mol.
Where can I buy 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-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-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Pyrimidin-4-yl-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.