Bazedoxifene 5-|A-D-Glucuronide
TL;DR: Bazedoxifene 5-|A-D-Glucuronide (CAS 328933-56-8) is a chemical compound with molecular formula C36H42N2O9 and molecular weight 646.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: BZA-5-glucuronide, a-d-glucuronide, Bazedoxifene-5-Glucuronide, Bazedoxifene 5-, Bazedoxifene 5-
| Molecular Formula | C36H42N2O9 |
|---|---|
| Molecular Weight | 646.29 g/mol |
| LogP | 3.89642 |
| Topological Polar Surface Area | 154.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 646.289 |
| Heavy Atoms | 47 |
| Complexity | 1662.7863 |
Chemical Identifiers
| CAS Number | 328933-56-8 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)O |
Product Overview
Bazedoxifene 5-|A-D-Glucuronide (CAS 328933-56-8), with molecular formula C36H42N2O9 and molecular weight 646.29 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Bazedoxifene 5-|A-D-Glucuronide
Property Insights of Bazedoxifene 5-|A-D-Glucuronide
The XLogP value of 3.89642 indicates that Bazedoxifene 5-|A-D-Glucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.08 Ų indicates high polarity, suggesting Bazedoxifene 5-|A-D-Glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bazedoxifene 5-|A-D-Glucuronide has 5 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 Bazedoxifene 5-|A-D-Glucuronide?
The CAS number of Bazedoxifene 5-|A-D-Glucuronide is 328933-56-8.
What is the molecular formula of Bazedoxifene 5-|A-D-Glucuronide?
The molecular formula of Bazedoxifene 5-|A-D-Glucuronide is C36H42N2O9.
What is the molecular weight of Bazedoxifene 5-|A-D-Glucuronide?
The molecular weight of Bazedoxifene 5-|A-D-Glucuronide is 646.29 g/mol.
Where can I buy Bazedoxifene 5-|A-D-Glucuronide?
You can request a quote for Bazedoxifene 5-|A-D-Glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bazedoxifene 5-|A-D-Glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Bazedoxifene 5-|A-D-Glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.