![2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid structure](/static/products/4778/477870-17-0.webp)
2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid
TL;DR: 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid (CAS 477870-17-0) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]acetic acid
Also Known As: 2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}acetic acid, 2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]acetic acid, 2-{4-[4-(thiophen-2-yl)pyrimidin-2-yl]phenoxy}acetic acid, 2-[4-[4-(2-thienyl)pyrimidin-2-yl]phenoxy]acetic acid, 2-{4-4-(2-Thienyl)-2-pyrimidinylphenoxy}acetic acid
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.3355 |
| Topological Polar Surface Area | 72.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 770.34973 |
Chemical Identifiers
| CAS Number | 477870-17-0 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OCC(=O)O |
Product Overview
2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid (CAS 477870-17-0), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: 2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]acetic acid.
Chemical Property Profile of 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid
Property Insights of 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid
The XLogP value of 3.3355 indicates that 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic 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 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid. Following Lipinski's Rule of Five, 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic 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-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid?
The CAS number of 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid is 477870-17-0.
What is the molecular formula of 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid?
The molecular formula of 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid is C16H12N2O3S.
What is the molecular weight of 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid?
The molecular weight of 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid is 312.06 g/mol.
Where can I buy 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid?
You can request a quote for 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic 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-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[4-(2-Thienyl)-2-pyrimidinyl]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.