![8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one structure](/static/products/799/799803-03-5.png)
8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
TL;DR: 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 799803-03-5) is a chemical compound with molecular formula C25H27N3O2S2 and molecular weight 465.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(2-methylprop-2-enyl)-14-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one
Also Known As: 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one, 8-(2-methylprop-2-en-1-yl)-9-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
| Molecular Formula | C25H27N3O2S2 |
|---|---|
| Molecular Weight | 465.15 g/mol |
| LogP | 4.9043 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.15448 |
| Heavy Atoms | 32 |
| Complexity | 1268.1631 |
Chemical Identifiers
| CAS Number | 799803-03-5 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)N3CCCCC3)SC4=C2CCC5=CC=CC=C54 |
Product Overview
8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 799803-03-5), with molecular formula C25H27N3O2S2 and molecular weight 465.15 g/mol. IUPAC: 13-(2-methylprop-2-enyl)-14-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one.
Chemical Property Profile of 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
Property Insights of 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
The XLogP value of 4.9043 indicates that 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-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, 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-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 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The CAS number of 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 799803-03-5.
What is the molecular formula of 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular formula of 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is C25H27N3O2S2.
What is the molecular weight of 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular weight of 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 465.15 g/mol.
Where can I buy 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
You can request a quote for 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-methylallyl)-9-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.