硝西泮
TL;DR: 硝西泮 (CAS 146-22-5) is a chemical compound with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝西泮
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: nitrazepam, Benzalin, Radedorm, Mogadon, Neuchlonic
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
| Melting Point | 225 |
| Solubility | 2.99e-02 g/L |
Chemical Identifiers
| CAS Number | 146-22-5 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 |
| InChIKey | KJONHKAYOJNZEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝西泮 (CAS 146-22-5), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 硝西泮
Property Insights of 硝西泮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝西泮. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝西泮. Following Lipinski's Rule of Five, 硝西泮 has 1 hydrogen bond donor(s) and 4 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 硝西泮?
The CAS number of 硝西泮 is 146-22-5.
What is the molecular formula of 硝西泮?
The molecular formula of 硝西泮 is C15H11N3O3.
What is the molecular weight of 硝西泮?
The molecular weight of 硝西泮 is 281.08 g/mol.
Where can I buy 硝西泮?
You can request a quote for 硝西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝西泮?
Yes, KEHONG BIO provides custom synthesis services for 硝西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.