6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate
TL;DR: 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate (CAS 16771-17-8) is a chemical compound with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-1H-pyridazin-3-yl) benzenesulfonate
Also Known As: (6-oxo-1H-pyridazin-3-yl) benzenesulfonate, 6-oxo-1,6-dihydropyridazin-3-yl benzenesulfonate
| Molecular Formula | C10H8N2O4S |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.02048 |
| Heavy Atoms | 17 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 16771-17-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=O)C=C2 |
| InChIKey | AIPDCPMXCWRNRS-UHFFFAOYSA-N |
Product Overview
6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate (CAS 16771-17-8), with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol. IUPAC: (6-oxo-1H-pyridazin-3-yl) benzenesulfonate.
Chemical Property Profile of 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate
Property Insights of 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate. Following Lipinski's Rule of Five, 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate 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 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate?
The CAS number of 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate is 16771-17-8.
What is the molecular formula of 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate?
The molecular formula of 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate is C10H8N2O4S.
What is the molecular weight of 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate?
The molecular weight of 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate is 252.02 g/mol.
Where can I buy 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate?
You can request a quote for 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-1,6-dihydropyridazin-3-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.