4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid
TL;DR: 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid (CAS 477859-46-4) is a chemical compound with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylic acid
Also Known As: 4-(4-chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid, 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylic acid, 4-(4-chlorophenoxy)-2-phenyl-pyrimidine-5-carboxylic Acid, 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylicacid
| Molecular Formula | C17H11ClN2O3 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 4.2875 |
| Topological Polar Surface Area | 72.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0458 |
| Heavy Atoms | 23 |
| Complexity | 836.21716 |
Chemical Identifiers
| CAS Number | 477859-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid (CAS 477859-46-4), with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol. IUPAC: 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylic acid.
Chemical Property Profile of 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid
Property Insights of 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid
The XLogP value of 4.2875 indicates that 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic 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-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid?
The CAS number of 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid is 477859-46-4.
What is the molecular formula of 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid?
The molecular formula of 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid is C17H11ClN2O3.
What is the molecular weight of 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid?
The molecular weight of 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid is 326.05 g/mol.
Where can I buy 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid?
You can request a quote for 4-(4-Chlorophenoxy)-2-phenyl-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 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.