Alprazolam 5-Oxide
TL;DR: Alprazolam 5-Oxide (CAS 30896-65-2) is a chemical compound with molecular formula C17H13ClN4O and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1-methyl-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium
Also Known As: Alprazolam 5-Oxide, Alprazolam5-Oxide, Alprazolam Impurity 28, 8-Chloro-1-methyl-6-phenyl-4H-5lambda(5)-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-5-ol, Alprazolam 5-Oxide (1mg/ml in Acetonitrile)
| Molecular Formula | C17H13ClN4O |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.0778 |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 30896-65-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4 |
| InChIKey | WHYAIKHHRCPZBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alprazolam 5-Oxide (CAS 30896-65-2), with molecular formula C17H13ClN4O and molecular weight 324.08 g/mol. IUPAC: 8-chloro-1-methyl-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium.
Chemical Property Profile of Alprazolam 5-Oxide
Property Insights of Alprazolam 5-Oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alprazolam 5-Oxide. With a topological polar surface area (TPSA) of 59.5 Ų, Alprazolam 5-Oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alprazolam 5-Oxide has 0 hydrogen bond donor(s) and 3 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 Alprazolam 5-Oxide?
The CAS number of Alprazolam 5-Oxide is 30896-65-2.
What is the molecular formula of Alprazolam 5-Oxide?
The molecular formula of Alprazolam 5-Oxide is C17H13ClN4O.
What is the molecular weight of Alprazolam 5-Oxide?
The molecular weight of Alprazolam 5-Oxide is 324.08 g/mol.
Where can I buy Alprazolam 5-Oxide?
You can request a quote for Alprazolam 5-Oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alprazolam 5-Oxide?
Yes, KEHONG BIO provides custom synthesis services for Alprazolam 5-Oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.