ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
TL;DR: ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol (CAS 88269-47-0) is a chemical compound with molecular formula C45H38O16 and molecular weight 834.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Also Known As: ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol, (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol, (1~2~R,1~3~R,1~4~R,2~2~R,2~3~S,3~2~S,3~3~R,3~4~R)-1~2~,2~2~,3~2~-Tris(3,4-dihydroxyphenyl)-1~3~,1~4~,2~3~,2~4~,3~3~,3~4~-hexahydro-1~2~H,2~2~H,3~2~H-[1~4~,2~6~:2~8~,3~4~-ter-1-benzopyran]-1~3~,1~7~,2~3~,2~5~,2~7~,3~3~,3~7~-heptol, (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-yl]-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-yl]chromane-3,5,7-triol
| Molecular Formula | C45H38O16 |
|---|---|
| Molecular Weight | 834.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 834.216 |
| Heavy Atoms | 61 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 88269-47-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=C(C(=C(C(=C21)O)[C@@H]3[C@H]([C@H](OC4=C3C=CC(=C4)O)C5=CC(=C(C=C5)O)O)O)O)[C@@H]6[C@H]([C@@H](OC7=C6C=CC(=C7)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O |
| InChIKey | VYURQCQMACPHRC-FXDUNFGRSA-N |
Product Overview
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol (CAS 88269-47-0), with molecular formula C45H38O16 and molecular weight 834.22 g/mol. IUPAC: (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.
Chemical Property Profile of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
Property Insights of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
The XLogP value of 4.0 indicates that ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 291.0 Ų indicates high polarity, suggesting ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol?
The CAS number of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol is 88269-47-0.
What is the molecular formula of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol?
The molecular formula of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol is C45H38O16.
What is the molecular weight of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol?
The molecular weight of ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol is 834.22 g/mol.
Where can I buy ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol?
You can request a quote for ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol?
Yes, KEHONG BIO provides custom synthesis services for ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.