![ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate structure](/static/products/372/372085-84-2.png)
ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
TL;DR: ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate (CAS 372085-84-2) is a chemical compound with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(17-oxo-16-phenyl-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl)sulfanyl]acetate
Also Known As: ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate, ethyl 2-((5-oxo-4-phenyl-5,6,7,8,9,10-hexahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate
| Molecular Formula | C22H22N4O3S2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 4.019 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.11334 |
| Heavy Atoms | 31 |
| Complexity | 1323.7748 |
Chemical Identifiers
| CAS Number | 372085-84-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate (CAS 372085-84-2), with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol. IUPAC: ethyl 2-[(17-oxo-16-phenyl-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
Property Insights of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
The XLogP value of 4.019 indicates that ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate?
The CAS number of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate is 372085-84-2.
What is the molecular formula of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate?
The molecular formula of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate is C22H22N4O3S2.
What is the molecular weight of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate?
The molecular weight of ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate is 454.11 g/mol.
Where can I buy ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate?
You can request a quote for ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.