![(5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione structure](/static/products/2015/201594-20-9.webp)
(5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione
TL;DR: (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione (CAS 201594-20-9) 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.
(5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
Also Known As: (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (5aR-(5aalpha,8abeta,9alpha))-, (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione, (5aR,8aR,9R)-9-(3,4-Dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione, (5ar,8ar,9r)-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione
| Molecular Formula | C20H16O8 |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.0845 |
| Heavy Atoms | 28 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 201594-20-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)[C@H]2[C@@H]3[C@H](COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
| InChIKey | LAOYXEVHXSQMQD-JECHBYEQSA-N |
Product Overview
(5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione (CAS 201594-20-9), with molecular formula C20H16O8 and molecular weight 384.08 g/mol. IUPAC: (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione.
Chemical Property Profile of (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione
Property Insights of (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione. Following Lipinski's Rule of Five, (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione has 2 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 (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione?
The CAS number of (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione is 201594-20-9.
What is the molecular formula of (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione?
The molecular formula of (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione is C20H16O8.
What is the molecular weight of (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione?
The molecular weight of (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione is 384.08 g/mol.
Where can I buy (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione?
You can request a quote for (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione?
Yes, KEHONG BIO provides custom synthesis services for (5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.