Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- (CAS 86197-06-0) is a chemical compound with molecular formula C22H32N2O9S and molecular weight 500.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-hydroxy-11-(hydroxymethyl)-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]-5-yl] 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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-, 8a-Hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylsulfanyl)-1,3',4-trioxodecahydrospiro[cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2'-oxolan]-8-yl acetate, 8a-hydroxy-3-(hydroxymethyl)-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]-8-yl acetate
| Molecular Formula | C22H32N2O9S |
|---|---|
| Molecular Weight | 500.18 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.18286 |
| Heavy Atoms | 34 |
| Complexity | 974.0 |
Chemical Identifiers
| CAS Number | 86197-06-0 |
|---|---|
| SMILES | CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC4(N3C(=O)C(N(C4=O)C)(CO)OC)SC)O)(C)C |
| InChIKey | RRPJAYODQFWQSE-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- (CAS 86197-06-0), with molecular formula C22H32N2O9S and molecular weight 500.18 g/mol. IUPAC: [6-hydroxy-11-(hydroxymethyl)-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]-5-yl] 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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)-
The XLogP value of -0.6 indicates that Spiro(7H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7,2'(3'H)-furan)-1,3',4-trione, 8-(acetyloxy)decahydro-8a-hydroxy-3-(hydroxymethyl)-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 168.0 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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- has 2 hydrogen bond donor(s) and 10 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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- is 86197-06-0.
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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- is C22H32N2O9S.
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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- is 500.18 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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-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)decahydro-8a-hydroxy-3-(hydroxymethyl)-3-methoxy-2,4',4',5'-tetramethyl-9a-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.