CAS RN: 2165-04-0
2-METHYL-6-PHENYLPYRIDAZIN-3(2H)-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2165-04-0
- Purity/Analytical Methods: >99.0%
2165-04-0 / 2-methyl-6-phenylpyridazin-3-one
Basic Information
CAS
2165-04-0
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
CN1C(=O)C=CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O/c1-13-11(14)8-7-10(12-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
JDTHKPBNSQFPMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.91
TPSA
34.89
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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