![2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid structure](/static/products/4468/446830-95-1.webp)
2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid
TL;DR: 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid (CAS 446830-95-1) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
Also Known As: BAS 05150811, 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid, 2-[5-(4-Ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]propionic acid, 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid, 2-[5-(4-ethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 3.1693 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 943.3741 |
Chemical Identifiers
| CAS Number | 446830-95-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)O |
Product Overview
2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid (CAS 446830-95-1), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid.
Chemical Property Profile of 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid
Property Insights of 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid
The XLogP value of 3.1693 indicates that 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid. Following Lipinski's Rule of Five, 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic 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-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid?
The CAS number of 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid is 446830-95-1.
What is the molecular formula of 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid?
The molecular formula of 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid is C17H16N2O4S.
What is the molecular weight of 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid?
The molecular weight of 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid is 344.08 g/mol.
Where can I buy 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid?
You can request a quote for 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-ethoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.