![methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate structure](/static/products/459/459418-54-3.png)
methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate
TL;DR: methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate (CAS 459418-54-3) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
Also Known As: BAS 03754480, methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate, methyl 2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate, methyl 2-(5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetate, methyl 2-[5-(4-methoxyphenyl)-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-3-yl]acet ate
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 459418-54-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC |
| InChIKey | YQQDUAIKLJMDEB-UHFFFAOYSA-N |
Product Overview
methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate (CAS 459418-54-3), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: methyl 2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate.
Chemical Property Profile of methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate
Property Insights of methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate. Following Lipinski's Rule of Five, methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate has 0 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 methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate?
The CAS number of methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate is 459418-54-3.
What is the molecular formula of methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate?
The molecular formula of methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate is C16H14N2O4S.
What is the molecular weight of methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate?
The molecular weight of methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate is 330.07 g/mol.
Where can I buy methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate?
You can request a quote for methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.