4'-Nitrobenzo-18-crown 6-Ether
TL;DR: 4'-Nitrobenzo-18-crown 6-Ether (CAS 53408-96-1) is a chemical compound with molecular formula C16H23NO8 and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Also Known As: 4-Nitrobenzo-18-crown-6, 4'-Nitrobenzo-18-crown 6-Ether, nitrobenzo-18-crown-6, 4'-Nitrobenzo-18-crown-6, 4- Nitrobenzo-18-crown-6
| Molecular Formula | C16H23NO8 |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 357.14236 |
| Heavy Atoms | 25 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 53408-96-1 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1 |
| InChIKey | LQXOKBZWNFJJGI-UHFFFAOYSA-N |
Product Overview
4'-Nitrobenzo-18-crown 6-Ether (CAS 53408-96-1), with molecular formula C16H23NO8 and molecular weight 357.14 g/mol. IUPAC: 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene.
Chemical Property Profile of 4'-Nitrobenzo-18-crown 6-Ether
Property Insights of 4'-Nitrobenzo-18-crown 6-Ether
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Nitrobenzo-18-crown 6-Ether. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Nitrobenzo-18-crown 6-Ether. Following Lipinski's Rule of Five, 4'-Nitrobenzo-18-crown 6-Ether has 0 hydrogen bond donor(s) and 8 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'-Nitrobenzo-18-crown 6-Ether?
The CAS number of 4'-Nitrobenzo-18-crown 6-Ether is 53408-96-1.
What is the molecular formula of 4'-Nitrobenzo-18-crown 6-Ether?
The molecular formula of 4'-Nitrobenzo-18-crown 6-Ether is C16H23NO8.
What is the molecular weight of 4'-Nitrobenzo-18-crown 6-Ether?
The molecular weight of 4'-Nitrobenzo-18-crown 6-Ether is 357.14 g/mol.
Where can I buy 4'-Nitrobenzo-18-crown 6-Ether?
You can request a quote for 4'-Nitrobenzo-18-crown 6-Ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Nitrobenzo-18-crown 6-Ether?
Yes, KEHONG BIO provides custom synthesis services for 4'-Nitrobenzo-18-crown 6-Ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.