硝沙西平
TL;DR: 硝沙西平 (CAS 47439-36-1) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝沙西平
5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one
Also Known As: Nitroxazepine, Sintamil, nitroxazepine HCl, Nitroxazepine [WHO-DD], Ciba 2330-Go
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 47439-36-1 |
|---|---|
| SMILES | CN(C)CCCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | CGYWLLGTCBIGSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝沙西平 (CAS 47439-36-1), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: 5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 硝沙西平
Property Insights of 硝沙西平
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝沙西平. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝沙西平. Following Lipinski's Rule of Five, 硝沙西平 has 0 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 硝沙西平?
The CAS number of 硝沙西平 is 47439-36-1.
What is the molecular formula of 硝沙西平?
The molecular formula of 硝沙西平 is C18H19N3O4.
What is the molecular weight of 硝沙西平?
The molecular weight of 硝沙西平 is 341.14 g/mol.
Where can I buy 硝沙西平?
You can request a quote for 硝沙西平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝沙西平?
Yes, KEHONG BIO provides custom synthesis services for 硝沙西平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.