![4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/846/846063-40-9.png)
4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 846063-40-9) is a chemical compound with molecular formula C18H18ClN3S3 and molecular weight 407.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(2-chlorobenzyl)sulfanyl]-7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C18H18ClN3S3 |
|---|---|
| Molecular Weight | 407.04 g/mol |
| LogP | 5.3468 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.03513 |
| Heavy Atoms | 25 |
| Complexity | 925.3154 |
Chemical Identifiers
| CAS Number | 846063-40-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=NC(=N3)SC)SCC4=CC=CC=C4Cl |
Product Overview
4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 846063-40-9), with molecular formula C18H18ClN3S3 and molecular weight 407.04 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 5.3468 indicates that 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine 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 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine is 846063-40-9.
What is the molecular formula of 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine is C18H18ClN3S3.
What is the molecular weight of 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine is 407.04 g/mol.
Where can I buy 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-chlorobenzyl)thio)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.