3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-
TL;DR: 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- (CAS 50905-41-4) is a chemical compound with molecular formula C20H16O8 and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5S,5aS,8aS,9S)-5-hydroxy-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione
Also Known As: 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-, (5R-(5alpha,5abeta,8aalpha,9alpha))-5-(5,5a,6,8,8a,9-Hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-3,5-cyclohexadiene-1,2-dione, 3,5-Cyclohexadiene-1,2-dione, 5-((5R,5aR,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, 5-[(5S,5aS,8aS,9S)-5-hydroxy-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione, 5-[(5S,5aS,8aS,9S)-9-Hydroxy-6-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione
| Molecular Formula | C20H16O8 |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.0845 |
| Heavy Atoms | 28 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 50905-41-4 |
|---|---|
| SMILES | COC1=CC(=CC(=O)C1=O)[C@@H]2[C@H]3[C@@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O |
| InChIKey | XCOKRODRXOWJQI-JZDMUPLMSA-N |
Product Overview
3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- (CAS 50905-41-4), with molecular formula C20H16O8 and molecular weight 384.08 g/mol. IUPAC: 5-[(5S,5aS,8aS,9S)-5-hydroxy-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-
Property Insights of 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-. Following Lipinski's Rule of Five, 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- has 1 hydrogen bond donor(s) and 8 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 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-?
The CAS number of 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- is 50905-41-4.
What is the molecular formula of 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-?
The molecular formula of 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- is C20H16O8.
What is the molecular weight of 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-?
The molecular weight of 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- is 384.08 g/mol.
Where can I buy 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-?
You can request a quote for 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Cyclohexadiene-1,2-dione, 5-(5,5a,6,8,8a,9-hexahydro-9-hydroxy-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-3-methoxy-, (5R-(5alpha,5abeta,8aalpha,9alpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.