Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-
TL;DR: Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- (CAS 86197-07-1) is a chemical compound with molecular formula C24H34N2O10S and molecular weight 542.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-6-hydroxy-11-methoxy-4',4',5',10-tetramethyl-8-methylsulfanyl-3',9,12-trioxospiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-11-yl)methyl acetate
Also Known As: Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-, [8-(Acetyloxy)-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylsulfanyl)-1,3',4-trioxodecahydrospiro[cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2'-oxolan]-3-yl]methyl acetate, [8-(acetyloxy)-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylsulfanyl)-1,3',4-trioxododecahydro-3'H-spiro[cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2'-furan]-3-yl]methyl acetate
| Molecular Formula | C24H34N2O10S |
|---|---|
| Molecular Weight | 542.19 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.1934 |
| Heavy Atoms | 37 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 86197-07-1 |
|---|---|
| SMILES | CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC4(N3C(=O)C(N(C4=O)C)(COC(=O)C)OC)SC)O)(C)C |
| InChIKey | RWYIWWAEVJSMIZ-UHFFFAOYSA-N |
Product Overview
Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- (CAS 86197-07-1), with molecular formula C24H34N2O10S and molecular weight 542.19 g/mol. IUPAC: (5-acetyloxy-6-hydroxy-11-methoxy-4',4',5',10-tetramethyl-8-methylsulfanyl-3',9,12-trioxospiro[1,10-diazatricyclo[6.4.0.02,6]dodecane-4,2'-oxolane]-11-yl)methyl acetate.
Chemical Property Profile of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-
Property Insights of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-
The XLogP value of -0.5 indicates that Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-?
The CAS number of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- is 86197-07-1.
What is the molecular formula of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-?
The molecular formula of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- is C24H34N2O10S.
What is the molecular weight of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-?
The molecular weight of Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- is 542.19 g/mol.
Where can I buy Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-?
You can request a quote for Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)-3-((acetyloxy)methyl)decahydro-8a-hydroxy-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.