![N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide structure](/static/products/842/842964-59-4.png)
N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
TL;DR: N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 842964-59-4) is a chemical compound with molecular formula C27H24ClN5O2S2 and molecular weight 549.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[7-(4-chlorophenyl)-12-methyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetamide
Also Known As: N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide, N-benzyl-2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
| Molecular Formula | C27H24ClN5O2S2 |
|---|---|
| Molecular Weight | 549.11 g/mol |
| LogP | 5.2816 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 549.106 |
| Heavy Atoms | 37 |
| Complexity | 1675.0914 |
Chemical Identifiers
| CAS Number | 842964-59-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)NCC5=CC=CC=C5)N(C3=O)C6=CC=C(C=C6)Cl |
Product Overview
N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 842964-59-4), with molecular formula C27H24ClN5O2S2 and molecular weight 549.11 g/mol. IUPAC: N-benzyl-2-[[7-(4-chlorophenyl)-12-methyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
Property Insights of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
The XLogP value of 5.2816 indicates that N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[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 81.29 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[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-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The CAS number of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 842964-59-4.
What is the molecular formula of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular formula of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is C27H24ClN5O2S2.
What is the molecular weight of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular weight of N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 549.11 g/mol.
Where can I buy N-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[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-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[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-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[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-benzyl-2-((4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[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.