Nitroxazepam
TL;DR: Nitroxazepam (CAS 16442-74-3) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: Nitrooxazepam, Nitroxazepam, 3-Hydroxynitrazepam, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-7-nitro-5-phenyl-, 3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 16442-74-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])O |
| InChIKey | WFQPYFHXXXIGLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitroxazepam (CAS 16442-74-3), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: 3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of Nitroxazepam
Property Insights of Nitroxazepam
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitroxazepam. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroxazepam. Following Lipinski's Rule of Five, Nitroxazepam has 2 hydrogen bond donor(s) and 5 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 Nitroxazepam?
The CAS number of Nitroxazepam is 16442-74-3.
What is the molecular formula of Nitroxazepam?
The molecular formula of Nitroxazepam is C15H11N3O4.
What is the molecular weight of Nitroxazepam?
The molecular weight of Nitroxazepam is 297.07 g/mol.
Where can I buy Nitroxazepam?
You can request a quote for Nitroxazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroxazepam?
Yes, KEHONG BIO provides custom synthesis services for Nitroxazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.