Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-
TL;DR: Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- (CAS 25505-97-9) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Also Known As: Maybridge1_008771, ISOXAZOLO(3,4-d)PYRIDAZIN-7(6H)-ONE, 3,4,6-TRIMETHYL-, 3,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one, 3,4,6-Trimetilisossazolo(3,4-d)piridazin-7-one, 3,4,6-Trimethylisoxazolo(3,4-d)pyridazin-7(6H)-one
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 25505-97-9 |
|---|---|
| SMILES | CC1=C2C(=NN(C(=O)C2=NO1)C)C |
| InChIKey | GWVOLGIOVUXWAJ-UHFFFAOYSA-N |
Product Overview
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- (CAS 25505-97-9), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: 3,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
Chemical Property Profile of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-
Property Insights of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-. With a topological polar surface area (TPSA) of 58.7 Ų, Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- 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, 3,4,6-trimethyl-?
The CAS number of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- is 25505-97-9.
What is the molecular formula of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-?
The molecular formula of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- is C8H9N3O2.
What is the molecular weight of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-?
The molecular weight of Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- is 179.07 g/mol.
Where can I buy Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl-?
You can request a quote for Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- 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, 3,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.