Dazoxiben glucuronide
TL;DR: Dazoxiben glucuronide (CAS 87001-99-8) is a chemical compound with molecular formula C18H20N2O9 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-imidazol-1-ylethoxy)benzoyl]oxyoxane-2-carboxylic acid
Also Known As: Dazoxiben glucuronide, beta-D-Glucopyranuronicacid,1-(4-(2-, beta-D-Glucopyranuronic acid, 1-(4-(2-(1H-imidazol-1-yl)ethoxy)benzoate), (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-imidazol-1-ylethoxy)benzoyl]oxyoxane-2-carboxylic acid, 1-o-{4-[2-(1h-imidazol-1-yl)ethoxy]benzoyl}-
| Molecular Formula | C18H20N2O9 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.11688 |
| Heavy Atoms | 29 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 87001-99-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OCCN3C=CN=C3 |
| InChIKey | MHHJOLPETUEANO-GLRLOKQVSA-N |
Product Overview
Dazoxiben glucuronide (CAS 87001-99-8), with molecular formula C18H20N2O9 and molecular weight 408.12 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-imidazol-1-ylethoxy)benzoyl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Dazoxiben glucuronide
Property Insights of Dazoxiben glucuronide
The XLogP value of -0.4 indicates that Dazoxiben glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Dazoxiben glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dazoxiben glucuronide has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dazoxiben glucuronide?
The CAS number of Dazoxiben glucuronide is 87001-99-8.
What is the molecular formula of Dazoxiben glucuronide?
The molecular formula of Dazoxiben glucuronide is C18H20N2O9.
What is the molecular weight of Dazoxiben glucuronide?
The molecular weight of Dazoxiben glucuronide is 408.12 g/mol.
Where can I buy Dazoxiben glucuronide?
You can request a quote for Dazoxiben glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dazoxiben glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Dazoxiben glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.