1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one
TL;DR: 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one (CAS 95211-47-5) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, J2.439.806D, 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-methyl-, AE-848/09433001, 2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 2.56192 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 596.81995 |
Chemical Identifiers
| CAS Number | 95211-47-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1 |
Product Overview
1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one (CAS 95211-47-5), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: 5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one
Property Insights of 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one
The XLogP value of 2.56192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one. With a topological polar surface area (TPSA) of 45.75 Ų, 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)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 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one?
The CAS number of 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one is 95211-47-5.
What is the molecular formula of 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one?
The molecular formula of 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one is C12H14N2OS.
What is the molecular weight of 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one?
The molecular weight of 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one is 234.08 g/mol.
Where can I buy 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one?
You can request a quote for 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)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 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.