5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile
TL;DR: 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile (CAS 1022732-56-4) is a chemical compound with molecular formula C16H9N3O3 and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-quinolin-8-yloxybenzonitrile
Also Known As: 5-nitro-2-quinolin-8-yloxybenzonitrile, 5-NITRO-2-(8-QUINOLYLOXY)BENZENECARBONITRILE, 5-nitro-2-(8-quinolyloxy)benzonitrile, 5-nitro-2-quinolin-8-yloxy-benzonitrile, 5-nitro-2-(quinolin-8-yloxy)benzonitrile
| Molecular Formula | C16H9N3O3 |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 3.80698 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0644 |
| Heavy Atoms | 22 |
| Complexity | 910.64825 |
Chemical Identifiers
| CAS Number | 1022732-56-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C#N)N=CC=C2 |
Product Overview
5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile (CAS 1022732-56-4), with molecular formula C16H9N3O3 and molecular weight 291.06 g/mol. IUPAC: 5-nitro-2-quinolin-8-yloxybenzonitrile.
Chemical Property Profile of 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile
Property Insights of 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile
The XLogP value of 3.80698 indicates that 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile. Following Lipinski's Rule of Five, 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile 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 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile?
The CAS number of 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile is 1022732-56-4.
What is the molecular formula of 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile?
The molecular formula of 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile is C16H9N3O3.
What is the molecular weight of 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile?
The molecular weight of 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile is 291.06 g/mol.
Where can I buy 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile?
You can request a quote for 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(8-quinolyloxy)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.