alpha-Hydroxyalprazolam glucuronide
TL;DR: alpha-Hydroxyalprazolam glucuronide (CAS 144964-58-9) is a chemical compound with molecular formula C23H21ClN4O7 and molecular weight 500.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: alpha-Hydroxyalprazolam glucuronide, A-Hydroxyalprazolam Glucuronide, 1-HydroxyAlprazolamb-D-Glucuronide, 1-Hydroxy Alprazolam b-D-Glucuronide (80%), 1-Hydroxy Alprazolam ?-D-Glucuronide (>80%)
| Molecular Formula | C23H21ClN4O7 |
|---|---|
| Molecular Weight | 500.11 g/mol |
| LogP | 0.6805 |
| Topological Polar Surface Area | 159.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.10986 |
| Heavy Atoms | 35 |
| Complexity | 1282.1292 |
Chemical Identifiers
| CAS Number | 144964-58-9 |
|---|---|
| SMILES | C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
Product Overview
alpha-Hydroxyalprazolam glucuronide (CAS 144964-58-9), with molecular formula C23H21ClN4O7 and molecular weight 500.11 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of alpha-Hydroxyalprazolam glucuronide
Property Insights of alpha-Hydroxyalprazolam glucuronide
The XLogP value of 0.6805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Hydroxyalprazolam glucuronide. The TPSA of 159.52 Ų indicates high polarity, suggesting alpha-Hydroxyalprazolam glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Hydroxyalprazolam glucuronide has 4 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 alpha-Hydroxyalprazolam glucuronide?
The CAS number of alpha-Hydroxyalprazolam glucuronide is 144964-58-9.
What is the molecular formula of alpha-Hydroxyalprazolam glucuronide?
The molecular formula of alpha-Hydroxyalprazolam glucuronide is C23H21ClN4O7.
What is the molecular weight of alpha-Hydroxyalprazolam glucuronide?
The molecular weight of alpha-Hydroxyalprazolam glucuronide is 500.11 g/mol.
Where can I buy alpha-Hydroxyalprazolam glucuronide?
You can request a quote for alpha-Hydroxyalprazolam glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Hydroxyalprazolam glucuronide?
Yes, KEHONG BIO provides custom synthesis services for alpha-Hydroxyalprazolam glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.