![3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/578/578722-57-3.png)
3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 578722-57-3) is a chemical compound with molecular formula C25H24N4O4S2 and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-11-methyl-5-[(4-nitrophenyl)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-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-ethoxyphenyl)-7-methyl-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H24N4O4S2 |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | 5.0343 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.1239 |
| Heavy Atoms | 35 |
| Complexity | 1445.8461 |
Chemical Identifiers
| CAS Number | 578722-57-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])SC5=C3CCN(C5)C |
Product Overview
3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 578722-57-3), with molecular formula C25H24N4O4S2 and molecular weight 508.12 g/mol. IUPAC: 4-(4-ethoxyphenyl)-11-methyl-5-[(4-nitrophenyl)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-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.0343 indicates that 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-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 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 578722-57-3.
What is the molecular formula of 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C25H24N4O4S2.
What is the molecular weight of 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 508.12 g/mol.
Where can I buy 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-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-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-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-(4-ethoxyphenyl)-7-methyl-2-((4-nitrobenzyl)thio)-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.