![N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide structure](/static/products/848/848211-82-5.png)
N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
TL;DR: N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide (CAS 848211-82-5) is a chemical compound with molecular formula C19H19ClN4OS3 and molecular weight 450.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
Also Known As: N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(3-chlorophenyl)-2-{[7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C19H19ClN4OS3 |
|---|---|
| Molecular Weight | 450.04 g/mol |
| LogP | 4.7853 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.04095 |
| Heavy Atoms | 28 |
| Complexity | 1039.4358 |
Chemical Identifiers
| CAS Number | 848211-82-5 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=NC(=N3)SC)SCC(=O)NC4=CC(=CC=C4)Cl |
Product Overview
N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide (CAS 848211-82-5), with molecular formula C19H19ClN4OS3 and molecular weight 450.04 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
Property Insights of N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
The XLogP value of 4.7853 indicates that N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.12 Ų, N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide has 1 hydrogen bond donor(s) and 7 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 N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
The CAS number of N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is 848211-82-5.
What is the molecular formula of N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
The molecular formula of N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is C19H19ClN4OS3.
What is the molecular weight of N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
The molecular weight of N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is 450.04 g/mol.
Where can I buy N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
You can request a quote for N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.