Cimicifugoside
TL;DR: Cimicifugoside (CAS 27994-11-2) is a chemical compound with molecular formula C35H52O9 and molecular weight 616.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R)-2-[(1'R,4'R,6'R,12'R,16'R,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl]oxyoxane-3,4,5-triol
Also Known As: Cimicifugoside, Cimigoside, Cimigenol-3-O-, A-D-xylpyranoside
| Molecular Formula | C35H52O9 |
|---|---|
| Molecular Weight | 616.36 g/mol |
| LogP | 3.4071 |
| Topological Polar Surface Area | 130.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 616.36115 |
| Heavy Atoms | 44 |
| Complexity | 1302.5438 |
Chemical Identifiers
| CAS Number | 27994-11-2 |
|---|---|
| SMILES | C[C@@H]1CC2(C3C(O3)(C(O2)O)C)OC4C1[C@]5(CC[C@@]67C[C@@]68CCC(C([C@@H]8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C |
Product Overview
Cimicifugoside (CAS 27994-11-2), with molecular formula C35H52O9 and molecular weight 616.36 g/mol. IUPAC: (2S,3R,4S,5R)-2-[(1'R,4'R,6'R,12'R,16'R,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl]oxyoxane-3,4,5-triol.
Chemical Property Profile of Cimicifugoside
Property Insights of Cimicifugoside
The XLogP value of 3.4071 indicates that Cimicifugoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimicifugoside. Following Lipinski's Rule of Five, Cimicifugoside has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cimicifugoside?
The CAS number of Cimicifugoside is 27994-11-2.
What is the molecular formula of Cimicifugoside?
The molecular formula of Cimicifugoside is C35H52O9.
What is the molecular weight of Cimicifugoside?
The molecular weight of Cimicifugoside is 616.36 g/mol.
Where can I buy Cimicifugoside?
You can request a quote for Cimicifugoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimicifugoside?
Yes, KEHONG BIO provides custom synthesis services for Cimicifugoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.