![8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one structure](/static/products/840/840471-97-8.png)
8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
TL;DR: 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 840471-97-8) is a chemical compound with molecular formula C23H20N2O2S2 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3-ethoxyphenyl)-14-methylsulfanyl-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-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one, 8-(3-ethoxyphenyl)-9-(methylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
| Molecular Formula | C23H20N2O2S2 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 5.3334 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.09662 |
| Heavy Atoms | 29 |
| Complexity | 1290.0178 |
Chemical Identifiers
| CAS Number | 840471-97-8 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)C3=C(N=C2SC)SC4=C3CCC5=CC=CC=C54 |
Product Overview
8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 840471-97-8), with molecular formula C23H20N2O2S2 and molecular weight 420.10 g/mol. IUPAC: 13-(3-ethoxyphenyl)-14-methylsulfanyl-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-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
Property Insights of 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
The XLogP value of 5.3334 indicates that 8-(3-ethoxyphenyl)-9-(methylthio)-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 44.12 Ų, 8-(3-ethoxyphenyl)-9-(methylthio)-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-(3-ethoxyphenyl)-9-(methylthio)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The CAS number of 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 840471-97-8.
What is the molecular formula of 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular formula of 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is C23H20N2O2S2.
What is the molecular weight of 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular weight of 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 420.10 g/mol.
Where can I buy 8-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
You can request a quote for 8-(3-ethoxyphenyl)-9-(methylthio)-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-(3-ethoxyphenyl)-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-ethoxyphenyl)-9-(methylthio)-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.