![2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/351/351008-64-5.png)
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351008-64-5) is a chemical compound with molecular formula C24H26BrN3O2S2 and molecular weight 531.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-cyclohexyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-(4-bromophenyl)-2-oxoethylthio]-3-cyclohexyl-7-methyl-3,5,6,7,8-pentahydr opyrimidino[5',4'-4,5]thiopheno[2,3-c]pyridin-4-one
| Molecular Formula | C24H26BrN3O2S2 |
|---|---|
| Molecular Weight | 531.07 g/mol |
| LogP | 5.6886 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.065 |
| Heavy Atoms | 32 |
| Complexity | 1212.6927 |
Chemical Identifiers
| CAS Number | 351008-64-5 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5CCCCC5 |
Product Overview
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351008-64-5), with molecular formula C24H26BrN3O2S2 and molecular weight 531.07 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-cyclohexyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.6886 indicates that 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-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. With a topological polar surface area (TPSA) of 55.2 Ų, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 351008-64-5.
What is the molecular formula of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C24H26BrN3O2S2.
What is the molecular weight of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 531.07 g/mol.
Where can I buy 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-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 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-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 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-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.