Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
TL;DR: Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol (CAS 85820-29-7) is a chemical compound with molecular formula C45H38O18 and molecular weight 866.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-(3,4-dihydroxyphenyl)-6,8-bis[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Also Known As: Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol, J2.772.068D, (2R,3S)-2-(3,4-dihydroxyphenyl)-6,8-bis[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol, (1~2~R,1~3~S,1~4~S,2~2~R,2~3~S,3~2~R,3~3~S,3~4~S)-2~2~-(3,4-Dihydroxyphenyl)-1~2~,3~2~-bis(3,4,5-trihydroxyphenyl)-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,2 R,2 R,3S,3 S,3 S,4S,4 S)-2 -(3,4-Dihydroxyphenyl)-3,3 ,3 ,4,4 ,4 -hexahydro-2,2 -bis(3,4,5-trihydroxyphenyl)-4,6 :8 ,4 -ter[2H-1-benzopyran]3,3 ,3 ,5 ,7,7 ,7 -heptaol
| Molecular Formula | C45H38O18 |
|---|---|
| Molecular Weight | 866.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 331.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 5 |
| Exact Mass | 866.2058 |
| Heavy Atoms | 63 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 85820-29-7 |
|---|---|
| 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)O)[C@H]6[C@@H]([C@H](OC7=C6C=CC(=C7)O)C8=CC(=C(C(=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O |
| InChIKey | QZNRDKYJASOYMZ-BLBVDZAISA-N |
Product Overview
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol (CAS 85820-29-7), with molecular formula C45H38O18 and molecular weight 866.21 g/mol. IUPAC: (2R,3S)-2-(3,4-dihydroxyphenyl)-6,8-bis[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.
Chemical Property Profile of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Property Insights of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
The XLogP value of 3.3 indicates that Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 331.0 Ų indicates high polarity, suggesting Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol has 15 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol?
The CAS number of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol is 85820-29-7.
What is the molecular formula of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol?
The molecular formula of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol is C45H38O18.
What is the molecular weight of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol?
The molecular weight of Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol is 866.21 g/mol.
Where can I buy Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol?
You can request a quote for Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol?
Yes, KEHONG BIO provides custom synthesis services for Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.