5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
TL;DR: 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one (CAS 18593-44-7) 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.
5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 5,6-Dimethyl-3H-thieno[2,3-d]pyrimidin-4-one, Timtec-Bb Sbb009541, 5,6-dimethylthieno[2,3-d]pyrimidin-4-ol, 5,6-dimethylthieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 18593-44-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC=N2)C |
| InChIKey | QAFMGDDXMIKGEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one (CAS 18593-44-7), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: 5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
Property Insights of 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one. Following Lipinski's Rule of Five, 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-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 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The CAS number of 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is 18593-44-7.
What is the molecular formula of 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The molecular formula of 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is C8H8N2OS.
What is the molecular weight of 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The molecular weight of 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is 180.04 g/mol.
Where can I buy 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
You can request a quote for 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.