![N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide structure](/static/products/488/488745-31-9.png)
N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide
TL;DR: N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide (CAS 488745-31-9) is a chemical compound with molecular formula C21H19Cl2N5OS2 and molecular weight 491.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dichlorophenyl)-2-[(7-ethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide
Also Known As: N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide, N-(2,4-dichlorophenyl)-2-[(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H19Cl2N5OS2 |
|---|---|
| Molecular Weight | 491.04 g/mol |
| LogP | 5.8178 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.0408 |
| Heavy Atoms | 31 |
| Complexity | 1316.5785 |
Chemical Identifiers
| CAS Number | 488745-31-9 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N14)SCC(=O)NC5=C(C=C(C=C5)Cl)Cl |
Product Overview
N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide (CAS 488745-31-9), with molecular formula C21H19Cl2N5OS2 and molecular weight 491.04 g/mol. IUPAC: N-(2,4-dichlorophenyl)-2-[(7-ethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide
Property Insights of N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide
The XLogP value of 5.8178 indicates that N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-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-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide?
The CAS number of N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide is 488745-31-9.
What is the molecular formula of N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide?
The molecular formula of N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide is C21H19Cl2N5OS2.
What is the molecular weight of N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide?
The molecular weight of N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide is 491.04 g/mol.
Where can I buy N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide?
You can request a quote for N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-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-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dichlorophenyl)-2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.