Ezetimibe glucuronide
TL;DR: Ezetimibe glucuronide (CAS 190448-57-8) is a chemical compound with molecular formula C30H29F2NO9 and molecular weight 585.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: ezetimibe-glucuronide, Ezetimibe Phenoxy Glucuronide, Ezetimibe glucuronide, Ezetimibe Impurity 40, Sch-58235 Glucuronide
| Molecular Formula | C30H29F2NO9 |
|---|---|
| Molecular Weight | 585.18 g/mol |
| LogP | 2.4537 |
| Topological Polar Surface Area | 156.99 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 585.181 |
| Heavy Atoms | 42 |
| Complexity | 1403.7869 |
Chemical Identifiers
| CAS Number | 190448-57-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
Product Overview
Ezetimibe glucuronide (CAS 190448-57-8), with molecular formula C30H29F2NO9 and molecular weight 585.18 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Ezetimibe glucuronide
Property Insights of Ezetimibe glucuronide
The XLogP value of 2.4537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ezetimibe glucuronide. The TPSA of 156.99 Ų indicates high polarity, suggesting Ezetimibe glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ezetimibe glucuronide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ezetimibe glucuronide?
The CAS number of Ezetimibe glucuronide is 190448-57-8.
What is the molecular formula of Ezetimibe glucuronide?
The molecular formula of Ezetimibe glucuronide is C30H29F2NO9.
What is the molecular weight of Ezetimibe glucuronide?
The molecular weight of Ezetimibe glucuronide is 585.18 g/mol.
Where can I buy Ezetimibe glucuronide?
You can request a quote for Ezetimibe glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ezetimibe glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Ezetimibe glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.