Bazedoxifene Bis-|A-D-Glucuronide
TL;DR: Bazedoxifene Bis-|A-D-Glucuronide (CAS 328933-67-1) is a chemical compound with molecular formula C42H50N2O15 and molecular weight 822.32 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-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylindol-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: a-d-glucuronide, Bazedoxifene Bis-, Bazedoxifene Bis-b-D-Glucuronide, BAZEDOXIFENE BIS-BETA-D-GLUCURONIDE, (2S,3S,4S,5R,6S)-6-[4-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylindol-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C42H50N2O15 |
|---|---|
| Molecular Weight | 822.32 g/mol |
| LogP | 1.46182 |
| Topological Polar Surface Area | 250.3 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 822.3211 |
| Heavy Atoms | 59 |
| Complexity | 2066.6704 |
Chemical Identifiers
| CAS Number | 328933-67-1 |
|---|---|
| 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[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O |
Product Overview
Bazedoxifene Bis-|A-D-Glucuronide (CAS 328933-67-1), with molecular formula C42H50N2O15 and molecular weight 822.32 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[4-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylindol-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Bazedoxifene Bis-|A-D-Glucuronide
Property Insights of Bazedoxifene Bis-|A-D-Glucuronide
The XLogP value of 1.46182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bazedoxifene Bis-|A-D-Glucuronide. The TPSA of 250.3 Ų indicates high polarity, suggesting Bazedoxifene Bis-|A-D-Glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bazedoxifene Bis-|A-D-Glucuronide has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bazedoxifene Bis-|A-D-Glucuronide?
The CAS number of Bazedoxifene Bis-|A-D-Glucuronide is 328933-67-1.
What is the molecular formula of Bazedoxifene Bis-|A-D-Glucuronide?
The molecular formula of Bazedoxifene Bis-|A-D-Glucuronide is C42H50N2O15.
What is the molecular weight of Bazedoxifene Bis-|A-D-Glucuronide?
The molecular weight of Bazedoxifene Bis-|A-D-Glucuronide is 822.32 g/mol.
Where can I buy Bazedoxifene Bis-|A-D-Glucuronide?
You can request a quote for Bazedoxifene Bis-|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 Bis-|A-D-Glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Bazedoxifene Bis-|A-D-Glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.