![2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid structure](/static/products/6858/685844-74-0.webp)
2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
TL;DR: 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid (CAS 685844-74-0) 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)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
Also Known As: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid, [5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid, 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3,3-d ]pyrimidin-3-yl]acetic acid, 2-(5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid, 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-3-yl]ace tic acid
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 685844-74-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)O)C |
| InChIKey | AGLTZCNYGIBAFQ-UHFFFAOYSA-N |
Product Overview
2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid (CAS 685844-74-0), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid.
Chemical Property Profile of 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
Property Insights of 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid. Following Lipinski's Rule of Five, 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid has 1 hydrogen bond donor(s) and 6 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)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid?
The CAS number of 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid is 685844-74-0.
What is the molecular formula of 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid?
The molecular formula of 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid is C17H16N2O4S.
What is the molecular weight of 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid?
The molecular weight of 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid is 344.08 g/mol.
Where can I buy 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid?
You can request a quote for 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]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-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.