![S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate structure](/static/products/488/488823-06-9.png)
S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate
TL;DR: S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate (CAS 488823-06-9) is a chemical compound with molecular formula C28H27N5O3S2 and molecular weight 545.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate
Also Known As: S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate, S-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]methyl} (2-methoxyphenyl)carbamothioate
| Molecular Formula | C28H27N5O3S2 |
|---|---|
| Molecular Weight | 545.16 g/mol |
| LogP | 5.7011 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.1555 |
| Heavy Atoms | 38 |
| Complexity | 1690.034 |
Chemical Identifiers
| CAS Number | 488823-06-9 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)SCC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3CCC6=CC=CC=C6 |
Product Overview
S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate (CAS 488823-06-9), with molecular formula C28H27N5O3S2 and molecular weight 545.16 g/mol. IUPAC: S-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]methyl] N-(2-methoxyphenyl)carbamothioate.
Chemical Property Profile of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate
Property Insights of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate
The XLogP value of 5.7011 indicates that S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate. Following Lipinski's Rule of Five, S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate?
The CAS number of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate is 488823-06-9.
What is the molecular formula of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate?
The molecular formula of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate is C28H27N5O3S2.
What is the molecular weight of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate?
The molecular weight of S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate is 545.16 g/mol.
Where can I buy S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate?
You can request a quote for S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)methyl) (2-methoxyphenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.