Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-
TL;DR: Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- (CAS 86197-04-8) is a chemical compound with molecular formula C24H30N2O10S and molecular weight 538.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S,5S,5'R,7R,10S)-3,4-diacetyloxy-4',4',5',11-tetramethyl-3',9,12-trioxospiro[13-thia-8,11-diazatetracyclo[8.2.1.01,8.03,7]tridecane-5,2'-oxolane]-10-yl]methyl acetate
Also Known As: Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-
| Molecular Formula | C24H30N2O10S |
|---|---|
| Molecular Weight | 538.16 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.1621 |
| Heavy Atoms | 37 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 86197-04-8 |
|---|---|
| SMILES | C[C@@H]1C(C(=O)[C@]2(O1)C[C@@H]3[C@]([C@@H]2OC(=O)C)(CC45N3C(=O)[C@](S4)(N(C5=O)C)COC(=O)C)OC(=O)C)(C)C |
| InChIKey | OODKYWYUZQUUSL-FWCADCQXSA-N |
Product Overview
Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- (CAS 86197-04-8), with molecular formula C24H30N2O10S and molecular weight 538.16 g/mol. IUPAC: [(3S,4S,5S,5'R,7R,10S)-3,4-diacetyloxy-4',4',5',11-tetramethyl-3',9,12-trioxospiro[13-thia-8,11-diazatetracyclo[8.2.1.01,8.03,7]tridecane-5,2'-oxolane]-10-yl]methyl acetate.
Chemical Property Profile of Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-
Property Insights of Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-. The TPSA of 171.0 Ų indicates high polarity, suggesting Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- has 0 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(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-?
The CAS number of Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- is 86197-04-8.
What is the molecular formula of Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-?
The molecular formula of Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- is C24H30N2O10S.
What is the molecular weight of Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-?
The molecular weight of Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- is 538.16 g/mol.
Where can I buy Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-?
You can request a quote for Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(3,9a-epithio-9aH-cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-7(8H),2'(3'H)-furan)-1,3',4-trione, 8,8a-bis(acetyloxy)-3-((acetyloxy)methyl)octahydro-2,4',4',5'-tetramethyl-, (3R-(3alpha,5abeta,7alpha(R*),8beta,8abeta,9aalpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.