Cholesterol glucuronide
TL;DR: Cholesterol glucuronide (CAS 20895-05-0) is a chemical compound with molecular formula C33H54O7 and molecular weight 562.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Cholesterol glucuronide, 3-O-beta-D-Glucopyranuronosyl cholesterol, KST-1A2618, Cholest-5-en-3-yl hexopyranosiduronic acid, (2S,3S,4S,5R,6R)-6-[[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C33H54O7 |
|---|---|
| Molecular Weight | 562.39 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.38696 |
| Heavy Atoms | 40 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 20895-05-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C |
| InChIKey | IJLBJBCDNYOWPJ-WWDBQNETSA-N |
Product Overview
Cholesterol glucuronide (CAS 20895-05-0), with molecular formula C33H54O7 and molecular weight 562.39 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Cholesterol glucuronide
Property Insights of Cholesterol glucuronide
The XLogP value of 7.2 indicates that Cholesterol glucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholesterol glucuronide. Following Lipinski's Rule of Five, Cholesterol glucuronide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesterol glucuronide?
The CAS number of Cholesterol glucuronide is 20895-05-0.
What is the molecular formula of Cholesterol glucuronide?
The molecular formula of Cholesterol glucuronide is C33H54O7.
What is the molecular weight of Cholesterol glucuronide?
The molecular weight of Cholesterol glucuronide is 562.39 g/mol.
Where can I buy Cholesterol glucuronide?
You can request a quote for Cholesterol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesterol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Cholesterol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.