3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
TL;DR: 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one (CAS 17334-68-8) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
Also Known As: 3-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one, Pelargonidin 3,5-diglucoside, 3-methyl-4-phenyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one, 3-methyl-4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one, Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-methyl-4-phenyl-
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 17334-68-8 |
|---|---|
| SMILES | CC1=C2C(=NNC(=O)C2=NO1)C3=CC=CC=C3 |
| InChIKey | YUQZAUWIHXYWKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one (CAS 17334-68-8), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 3-methyl-4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one.
Chemical Property Profile of 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
Property Insights of 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one. Following Lipinski's Rule of Five, 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one has 1 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 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one?
The CAS number of 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one is 17334-68-8.
What is the molecular formula of 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one?
The molecular formula of 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one is C12H9N3O2.
What is the molecular weight of 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one?
The molecular weight of 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one is 227.07 g/mol.
Where can I buy 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one?
You can request a quote for 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.