Cinnoline, 4-nitro-, 1-oxide
TL;DR: Cinnoline, 4-nitro-, 1-oxide (CAS 13657-99-3) is a chemical compound with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-oxidocinnolin-1-ium
Also Known As: 4-Nitrocinnoline 1-oxide, Cinnoline, 1-oxide, Cinnoline, 4-nitro-, 1-oxide, 4-nitro-cinnoline 1-oxide, 4-nitro-1-oxidocinnolin-1-ium
| Molecular Formula | C8H5N3O3 |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.0331 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 13657-99-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN=[N+]2[O-])[N+](=O)[O-] |
| InChIKey | HEOBQABYEWTBLN-UHFFFAOYSA-N |
Product Overview
Cinnoline, 4-nitro-, 1-oxide (CAS 13657-99-3), with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol. IUPAC: 4-nitro-1-oxidocinnolin-1-ium.
Chemical Property Profile of Cinnoline, 4-nitro-, 1-oxide
Property Insights of Cinnoline, 4-nitro-, 1-oxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnoline, 4-nitro-, 1-oxide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnoline, 4-nitro-, 1-oxide. Following Lipinski's Rule of Five, Cinnoline, 4-nitro-, 1-oxide has 0 hydrogen bond donor(s) and 4 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 Cinnoline, 4-nitro-, 1-oxide?
The CAS number of Cinnoline, 4-nitro-, 1-oxide is 13657-99-3.
What is the molecular formula of Cinnoline, 4-nitro-, 1-oxide?
The molecular formula of Cinnoline, 4-nitro-, 1-oxide is C8H5N3O3.
What is the molecular weight of Cinnoline, 4-nitro-, 1-oxide?
The molecular weight of Cinnoline, 4-nitro-, 1-oxide is 191.03 g/mol.
Where can I buy Cinnoline, 4-nitro-, 1-oxide?
You can request a quote for Cinnoline, 4-nitro-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnoline, 4-nitro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Cinnoline, 4-nitro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.