![N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide structure](/static/products/847/847340-67-4.png)
N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
TL;DR: N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 847340-67-4) is a chemical compound with molecular formula C25H21ClN6O2S2 and molecular weight 536.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(13-methyl-8-oxo-7-phenyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide
Also Known As: N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide, N-(3-chlorophenyl)-2-[(8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
| Molecular Formula | C25H21ClN6O2S2 |
|---|---|
| Molecular Weight | 536.09 g/mol |
| LogP | 4.467 |
| Topological Polar Surface Area | 84.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 536.0856 |
| Heavy Atoms | 36 |
| Complexity | 1677.2717 |
Chemical Identifiers
| CAS Number | 847340-67-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=CC(=CC=C5)Cl)C6=CC=CC=C6 |
Product Overview
N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 847340-67-4), with molecular formula C25H21ClN6O2S2 and molecular weight 536.09 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(13-methyl-8-oxo-7-phenyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
Property Insights of N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
The XLogP value of 4.467 indicates that N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide has 1 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 N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The CAS number of N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 847340-67-4.
What is the molecular formula of N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular formula of N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is C25H21ClN6O2S2.
What is the molecular weight of N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular weight of N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 536.09 g/mol.
Where can I buy N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
You can request a quote for N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-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-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.