2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline
TL;DR: 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline (CAS 6304-55-8) is a chemical compound with molecular formula C16H10N2O4 and molecular weight 294.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-3-nitroquinoline
Also Known As: 2-(1,3-benzodioxol-5-yl)-3-nitroquinoline, 3-Nitro-2-phenyl-chinolin, 2-benzo[1,3]dioxol-5-yl-3-nitro-quinoline, 2-(2H-1,3-BENZODIOXOL-5-YL)-3-NITROQUINOLINE
| Molecular Formula | C16H10N2O4 |
|---|---|
| Molecular Weight | 294.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.06406 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 6304-55-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C=C3[N+](=O)[O-] |
| InChIKey | CKBLORQKODCHEW-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline (CAS 6304-55-8), with molecular formula C16H10N2O4 and molecular weight 294.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-3-nitroquinoline.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline
Property Insights of 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline
The XLogP value of 3.5 indicates that 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline 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 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline is 6304-55-8.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline is C16H10N2O4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline is 294.06 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.