![ethyl 4-((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)butanoate structure](/static/products/848/848767-12-4.png)
ethyl 4-((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)butanoate
TL;DR: ethyl 4-((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)butanoate (CAS 848767-12-4) is a chemical compound with molecular formula C23H24ClN5O3S2 and molecular weight 517.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[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]butanoate
Also Known As: ethyl 4-((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)butanoate, ethyl 4-{[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}butanoate
| Molecular Formula | C23H24ClN5O3S2 |
|---|---|
| Molecular Weight | 517.10 g/mol |
| LogP | 4.1716 |
| Topological Polar Surface Area | 81.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.1009 |
| Heavy Atoms | 34 |
| Complexity | 1444.1646 |
Chemical Identifiers
| CAS Number | 848767-12-4 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C)C(=O)N2C5=CC(=CC=C5)Cl |
Product Overview
ethyl 4-((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)butanoate (CAS 848767-12-4), with molecular formula C23H24ClN5O3S2 and molecular weight 517.10 g/mol. IUPAC: ethyl 4-[[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]butanoate.
Chemical Property Profile of ethyl 4-((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)butanoate
Property Insights of ethyl 4-((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)butanoate
The XLogP value of 4.1716 indicates that ethyl 4-((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)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((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)butanoate. Following Lipinski's Rule of Five, ethyl 4-((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)butanoate has 0 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 ethyl 4-((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)butanoate?
The CAS number of ethyl 4-((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)butanoate is 848767-12-4.
What is the molecular formula of ethyl 4-((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)butanoate?
The molecular formula of ethyl 4-((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)butanoate is C23H24ClN5O3S2.
What is the molecular weight of ethyl 4-((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)butanoate?
The molecular weight of ethyl 4-((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)butanoate is 517.10 g/mol.
Where can I buy ethyl 4-((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)butanoate?
You can request a quote for ethyl 4-((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)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((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)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((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)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.