4-硝基苯并-15-冠-5
TL;DR: 4-硝基苯并-15-冠-5 (CAS 60835-69-0) is a chemical compound with molecular formula C14H19NO7 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯并-15-冠-5
17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
Also Known As: 4-Nitrobenzo-15-crown-5, (4'-Nitrobenzo)-15-crown-5, Nitrobenzo-15-crown-5, 4'-Nitrobenzo-15-crown-5, 4'-Nitrobenzo-15-crown 5-Ether
| Molecular Formula | C14H19NO7 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.11615 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 60835-69-0 |
|---|---|
| SMILES | C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1 |
| InChIKey | XIWRBQVYCZCEPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯并-15-冠-5 (CAS 60835-69-0), with molecular formula C14H19NO7 and molecular weight 313.12 g/mol. IUPAC: 17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene.
Chemical Property Profile of 4-硝基苯并-15-冠-5
Property Insights of 4-硝基苯并-15-冠-5
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯并-15-冠-5. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯并-15-冠-5. Following Lipinski's Rule of Five, 4-硝基苯并-15-冠-5 has 0 hydrogen bond donor(s) and 7 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 4-硝基苯并-15-冠-5?
The CAS number of 4-硝基苯并-15-冠-5 is 60835-69-0.
What is the molecular formula of 4-硝基苯并-15-冠-5?
The molecular formula of 4-硝基苯并-15-冠-5 is C14H19NO7.
What is the molecular weight of 4-硝基苯并-15-冠-5?
The molecular weight of 4-硝基苯并-15-冠-5 is 313.12 g/mol.
Where can I buy 4-硝基苯并-15-冠-5?
You can request a quote for 4-硝基苯并-15-冠-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯并-15-冠-5?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯并-15-冠-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.