![3-(4-chlorophenyl)-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/586/586987-70-4.png)
3-(4-chlorophenyl)-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-chlorophenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 586987-70-4) is a chemical compound with molecular formula C23H19ClN4O3S2 and molecular weight 498.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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 | C23H19ClN4O3S2 |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | 5.289 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.05872 |
| Heavy Atoms | 33 |
| Complexity | 1415.1635 |
Chemical Identifiers
| CAS Number | 586987-70-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl |
Product Overview
3-(4-chlorophenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 586987-70-4), with molecular formula C23H19ClN4O3S2 and molecular weight 498.06 g/mol. IUPAC: 4-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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 5.289 indicates that 3-(4-chlorophenyl)-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 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-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-chlorophenyl)-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 7 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-chlorophenyl)-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-chlorophenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 586987-70-4.
What is the molecular formula of 3-(4-chlorophenyl)-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-chlorophenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C23H19ClN4O3S2.
What is the molecular weight of 3-(4-chlorophenyl)-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-chlorophenyl)-7-methyl-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 498.06 g/mol.
Where can I buy 3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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.