![3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/356/356587-33-2.png)
3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 356587-33-2) is a chemical compound with molecular formula C17H23N3OS2 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, REGID_for_CID_658136
| Molecular Formula | C17H23N3OS2 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.12827 |
| Heavy Atoms | 23 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 356587-33-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C4CCCCC4 |
| InChIKey | QIQMVKOZVYRNII-UHFFFAOYSA-N |
Product Overview
3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 356587-33-2), with molecular formula C17H23N3OS2 and molecular weight 349.13 g/mol. IUPAC: 4-cyclohexyl-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.5 indicates that 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 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 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 356587-33-2.
What is the molecular formula of 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C17H23N3OS2.
What is the molecular weight of 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 349.13 g/mol.
Where can I buy 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[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 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-cyclohexyl-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.