4,5-Dehydroniridazole
TL;DR: 4,5-Dehydroniridazole (CAS 72589-89-0) is a chemical compound with molecular formula C6H4N4O3S and molecular weight 212.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitro-1,3-thiazol-2-yl)-1H-imidazol-2-one
Also Known As: 4,5-Dehydroniridazole, 3-(5-nitro-1,3-thiazol-2-yl)-1H-imidazol-2-one, 1-(5-Nitro-2-thiazolyl)-1H-imidazol-2(3H)-one, 2H-Imidazol-2-one, 1,3-dihydro-1-(5-nitro-2-thiazolyl)-, 1-(5-Nitro-1,3-thiazol-2-yl)-1,3-dihydro-2H-imidazol-2-one
| Molecular Formula | C6H4N4O3S |
|---|---|
| Molecular Weight | 212.00 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.00041 |
| Heavy Atoms | 14 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 72589-89-0 |
|---|---|
| SMILES | C1=CN(C(=O)N1)C2=NC=C(S2)[N+](=O)[O-] |
| InChIKey | INIJUCZWAVAVAO-UHFFFAOYSA-N |
Product Overview
4,5-Dehydroniridazole (CAS 72589-89-0), with molecular formula C6H4N4O3S and molecular weight 212.00 g/mol. IUPAC: 3-(5-nitro-1,3-thiazol-2-yl)-1H-imidazol-2-one.
Chemical Property Profile of 4,5-Dehydroniridazole
Property Insights of 4,5-Dehydroniridazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dehydroniridazole. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dehydroniridazole. Following Lipinski's Rule of Five, 4,5-Dehydroniridazole has 1 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 4,5-Dehydroniridazole?
The CAS number of 4,5-Dehydroniridazole is 72589-89-0.
What is the molecular formula of 4,5-Dehydroniridazole?
The molecular formula of 4,5-Dehydroniridazole is C6H4N4O3S.
What is the molecular weight of 4,5-Dehydroniridazole?
The molecular weight of 4,5-Dehydroniridazole is 212.00 g/mol.
Where can I buy 4,5-Dehydroniridazole?
You can request a quote for 4,5-Dehydroniridazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dehydroniridazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dehydroniridazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.