Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide
TL;DR: Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide (CAS 2096-47-1) is a chemical compound with molecular formula C5H4ClN3O4 and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methoxy-4-nitro-1-oxidopyridazin-1-ium
Also Known As: Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide, 6-Chloro-3-methoxy-4-nitropyridazine 1-oxide, 6-chloro-3-methoxy-4-nitro-1-oxidopyridazin-1-ium, 6-Chloro-3-methoxy-4-nitro-1-oxo-1lambda~5~-pyridazine, BRN 0884988
| Molecular Formula | C5H4ClN3O4 |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.98903 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 2096-47-1 |
|---|---|
| SMILES | COC1=N[N+](=C(C=C1[N+](=O)[O-])Cl)[O-] |
| InChIKey | GFPCWCFJENKFAV-UHFFFAOYSA-N |
Product Overview
Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide (CAS 2096-47-1), with molecular formula C5H4ClN3O4 and molecular weight 204.99 g/mol. IUPAC: 6-chloro-3-methoxy-4-nitro-1-oxidopyridazin-1-ium.
Chemical Property Profile of Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide
Property Insights of Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide. Following Lipinski's Rule of Five, Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide 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 Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide?
The CAS number of Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide is 2096-47-1.
What is the molecular formula of Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide?
The molecular formula of Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide is C5H4ClN3O4.
What is the molecular weight of Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide?
The molecular weight of Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide is 204.99 g/mol.
Where can I buy Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide?
You can request a quote for Pyridazine, 6-chloro-3-methoxy-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 Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyridazine, 6-chloro-3-methoxy-4-nitro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.