Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
TL;DR: Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- (CAS 15911-15-6) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Also Known As: ISOXAZOLO(3,4-d)PYRIDAZIN-7(6H)-ONE, 3,4-DIMETHYL-6-PHENYL-, 4-27-00-09356 (Beilstein Handbook Reference), 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one, 3,4-Dimethyl-6-phenylisoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
| Solubility | 29.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 15911-15-6 |
|---|---|
| SMILES | CC1=C2C(=NN(C(=O)C2=NO1)C3=CC=CC=C3)C |
| InChIKey | YNMXHASRQBEXMM-UHFFFAOYSA-N |
Product Overview
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- (CAS 15911-15-6), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
Chemical Property Profile of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
Property Insights of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-. With a topological polar surface area (TPSA) of 58.7 Ų, Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- has 0 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 Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-?
The CAS number of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- is 15911-15-6.
What is the molecular formula of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-?
The molecular formula of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- is C13H11N3O2.
What is the molecular weight of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-?
The molecular weight of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- is 241.09 g/mol.
Where can I buy Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-?
You can request a quote for Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.