3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester
TL;DR: 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester (CAS 190448-56-7) is a chemical compound with molecular formula C39H39F2NO13 and molecular weight 767.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate
Also Known As: 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester, beta-D-Glucopyranosiduronic acid, 4-[(2S,3R)-3-[(3S)-3-(acetyloxy)-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxo-2-azetidinyl]phenyl, methyl ester, 2,3,4-triacetate, 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-beta-D-glucuronide Methyl Ester, Methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate, 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-?-D-glucuronide Methyl Ester
| Molecular Formula | C39H39F2NO13 |
|---|---|
| Molecular Weight | 767.24 g/mol |
| LogP | 4.8253 |
| Topological Polar Surface Area | 170.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 767.23895 |
| Heavy Atoms | 55 |
| Complexity | 1886.7604 |
Chemical Identifiers
| CAS Number | 190448-56-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CC[C@@H](C5=CC=C(C=C5)F)OC(=O)C)C(=O)OC)OC(=O)C |
Product Overview
3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester (CAS 190448-56-7), with molecular formula C39H39F2NO13 and molecular weight 767.24 g/mol. IUPAC: methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate.
Chemical Property Profile of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester
Property Insights of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester
The XLogP value of 4.8253 indicates that 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.27 Ų indicates high polarity, suggesting 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester?
The CAS number of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester is 190448-56-7.
What is the molecular formula of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester?
The molecular formula of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester is C39H39F2NO13.
What is the molecular weight of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester?
The molecular weight of 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester is 767.24 g/mol.
Where can I buy 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester?
You can request a quote for 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-b-D-glucuronide Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.