5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
TL;DR: 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one (CAS 95211-69-1) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 5,6,7,8-Tetrahydro-5-methyl-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one, AO-476/41043140, (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-5-methyl-, 5-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.4244 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 569.46185 |
Chemical Identifiers
| CAS Number | 95211-69-1 |
|---|---|
| SMILES | CC1CCCC2=C1C3=C(S2)N=CNC3=O |
Product Overview
5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one (CAS 95211-69-1), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: 5-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
Property Insights of 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
The XLogP value of 2.4244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-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 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
The CAS number of 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one is 95211-69-1.
What is the molecular formula of 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
The molecular formula of 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one is C11H12N2OS.
What is the molecular weight of 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
The molecular weight of 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one is 220.07 g/mol.
Where can I buy 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
You can request a quote for 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydro-5-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.