![2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide structure](/static/products/847/847271-40-3.png)
2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide
TL;DR: 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 847271-40-3) is a chemical compound with molecular formula C24H25ClN6O3S2 and molecular weight 544.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-(3-chlorophenyl)-13-methyl-8-oxo-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]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-{[4-(3-chlorophenyl)-8-methyl-5-oxo-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}-N-(tetrahydrofuran-2-ylmethyl)acetamide
| Molecular Formula | C24H25ClN6O3S2 |
|---|---|
| Molecular Weight | 544.11 g/mol |
| LogP | 3.1235 |
| Topological Polar Surface Area | 93.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.1118 |
| Heavy Atoms | 36 |
| Complexity | 1523.8456 |
Chemical Identifiers
| CAS Number | 847271-40-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NCC5CCCO5)C6=CC(=CC=C6)Cl |
Product Overview
2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 847271-40-3), with molecular formula C24H25ClN6O3S2 and molecular weight 544.11 g/mol. IUPAC: 2-[[7-(3-chlorophenyl)-13-methyl-8-oxo-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]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide
Property Insights of 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide
The XLogP value of 3.1235 indicates that 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide has 1 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 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The CAS number of 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide is 847271-40-3.
What is the molecular formula of 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The molecular formula of 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide is C24H25ClN6O3S2.
What is the molecular weight of 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The molecular weight of 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide is 544.11 g/mol.
Where can I buy 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
You can request a quote for 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(3-chlorophenyl)-8-methyl-5-oxo-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)-N-((tetrahydrofuran-2-yl)methyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.