Oxazepam glucuronide
TL;DR: Oxazepam glucuronide (CAS 78949-72-1) is a chemical compound with molecular formula C21H19ClN2O8 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Oxazepam glucuronide, oxazepamglucuronide, Oxazepam-glucuronide, Oxazepam impurity 14, oxazepam glucuronide, (R)-isomer
| Molecular Formula | C21H19ClN2O8 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.083 |
| Heavy Atoms | 32 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 78949-72-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
| InChIKey | FIKQKGFUBZQEBL-IFBJMGMISA-N |
Product Overview
Oxazepam glucuronide (CAS 78949-72-1), with molecular formula C21H19ClN2O8 and molecular weight 462.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Oxazepam glucuronide
Property Insights of Oxazepam glucuronide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazepam glucuronide. The TPSA of 158.0 Ų indicates high polarity, suggesting Oxazepam glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxazepam glucuronide has 5 hydrogen bond donor(s) and 9 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 Oxazepam glucuronide?
The CAS number of Oxazepam glucuronide is 78949-72-1.
What is the molecular formula of Oxazepam glucuronide?
The molecular formula of Oxazepam glucuronide is C21H19ClN2O8.
What is the molecular weight of Oxazepam glucuronide?
The molecular weight of Oxazepam glucuronide is 462.08 g/mol.
Where can I buy Oxazepam glucuronide?
You can request a quote for Oxazepam glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxazepam glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Oxazepam glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.