3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate
TL;DR: 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate (CAS 2971-27-9) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (6-oxo-1H-pyridazin-3-yl) carbonate
Also Known As: 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate, butyl (6-oxo-1H-pyridazin-3-yl) carbonate, n-Butyl 2,3-dihydro-3-oxo-6-pyridazinyl carbonate, 4-25-00-00025 (Beilstein Handbook Reference), 2,3-Dihydroxy-6-hydroxypyridazin-3-one butoxycarboxylate
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 2971-27-9 |
|---|---|
| SMILES | CCCCOC(=O)OC1=NNC(=O)C=C1 |
| InChIKey | UMKFPHKVWLBQQX-UHFFFAOYSA-N |
Product Overview
3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate (CAS 2971-27-9), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: butyl (6-oxo-1H-pyridazin-3-yl) carbonate.
Chemical Property Profile of 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate
Property Insights of 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate. Following Lipinski's Rule of Five, 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate 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 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate?
The CAS number of 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate is 2971-27-9.
What is the molecular formula of 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate?
The molecular formula of 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate is C9H12N2O4.
What is the molecular weight of 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate?
The molecular weight of 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate is 212.08 g/mol.
Where can I buy 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate?
You can request a quote for 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.