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6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 56844-39-4) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one, 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one, 6-ethylthieno[2,3-d]pyrimidin-4-ol, Maybridge3_001404, 6-ethyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 56844-39-4 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=CNC2=O |
| InChIKey | GXZAQJCUXCKYKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-ethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 56844-39-4), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 3 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 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one is 56844-39-4.
What is the molecular formula of 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one is C8H8N2OS.
What is the molecular weight of 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one is 180.04 g/mol.
Where can I buy 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.