![Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate structure](/static/products/1867/18678-27-8.webp)
Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate
TL;DR: Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate (CAS 18678-27-8) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetate
Also Known As: Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate, ethyl 2-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}acetate, ethyl 2-(4-hydroxy-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)acetate, ethyl 2-(4-hydroxy-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)acetate, Ethyl 2-(4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)acetate
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 18678-27-8 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | OPKJYSCKMVJGLP-UHFFFAOYSA-N |
Product Overview
Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate (CAS 18678-27-8), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: ethyl 2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetate.
Chemical Property Profile of Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate
Property Insights of Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate 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 Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate?
The CAS number of Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate is 18678-27-8.
What is the molecular formula of Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate?
The molecular formula of Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate is C14H16N2O3S.
What is the molecular weight of Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate?
The molecular weight of Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate is 292.09 g/mol.
Where can I buy Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate?
You can request a quote for Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.