2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid
TL;DR: 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid (CAS 312747-38-9) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
Also Known As: 2-(4-butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid, 2-(4-butoxyphenyl)-4-methylpyrimidine-5-carboxylic acid, 2-(p-butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 312747-38-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C)C(=O)O |
| InChIKey | YRIFGRYVUOXXLF-UHFFFAOYSA-N |
Product Overview
2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid (CAS 312747-38-9), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: 2-(4-butoxyphenyl)-4-methylpyrimidine-5-carboxylic acid.
Chemical Property Profile of 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid
Property Insights of 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid
The XLogP value of 3.0 indicates that 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid has 1 hydrogen bond donor(s) and 5 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-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid?
The CAS number of 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid is 312747-38-9.
What is the molecular formula of 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid?
The molecular formula of 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid is C16H18N2O3.
What is the molecular weight of 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid?
The molecular weight of 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid is 286.13 g/mol.
Where can I buy 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid?
You can request a quote for 2-(4-Butoxyphenyl)-4-methyl-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-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.