Hopeaphenol A
TL;DR: Hopeaphenol A (CAS 474959-71-2) is a chemical compound with molecular formula C56H42O12 and molecular weight 906.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8R,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8S,9R,16R)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
Also Known As: Hopeaphenol A, Hopeaphenol, J1.845.350I, (1R,8R,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8S,9R,16R)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol, (1R,1 R,6R,6 S,7S,7 R,11bR,11b R)-1,1 ,6,6 ,7,7 ,11b,11 b-Octahydro-1,1 ,7,7 -tetrakis(4-hydroxyphenyl)[6,6 -bibenzo[6,7]cyclohepta[1,2,3-cd]benzofuran]-4,4 ,8,8 ,10,10 -hexol
| Molecular Formula | C56H42O12 |
|---|---|
| Molecular Weight | 906.27 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 906.26764 |
| Heavy Atoms | 68 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 474959-71-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@H]([C@@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)[C@H]7[C@@H](C8=C(C=C(C=C8O)O)[C@H]9[C@@H](OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O |
| InChIKey | YQQUILZPDYJDQJ-VHXTUJGLSA-N |
Product Overview
Hopeaphenol A (CAS 474959-71-2), with molecular formula C56H42O12 and molecular weight 906.27 g/mol. IUPAC: (1R,8R,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8S,9R,16R)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol.
Chemical Property Profile of Hopeaphenol A
Property Insights of Hopeaphenol A
The XLogP value of 9.1 indicates that Hopeaphenol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting Hopeaphenol A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hopeaphenol A has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hopeaphenol A?
The CAS number of Hopeaphenol A is 474959-71-2.
What is the molecular formula of Hopeaphenol A?
The molecular formula of Hopeaphenol A is C56H42O12.
What is the molecular weight of Hopeaphenol A?
The molecular weight of Hopeaphenol A is 906.27 g/mol.
Where can I buy Hopeaphenol A?
You can request a quote for Hopeaphenol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hopeaphenol A?
Yes, KEHONG BIO provides custom synthesis services for Hopeaphenol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.