CAS RN: 67088-78-2
bis(1-methyl-1H-pyrazol-4-yl)methanone
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.20260405 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS67088-78-2
- Purity/Analytical Methods: >99.0%
67088-78-2 / bis(1-methylpyrazol-4-yl)methanone
Basic Information
CAS
67088-78-2
Multi CAS
No
Molecular Formula
C9H10N4O
Molecular Weight
190.200000
Exact Mass
190.085461
InChI
InChI=1S/C9H10N4O/c1-12-5-7(3-10-12)9(14)8-4-11-13(2)6-8/h3-6H,1-2H3
InChIKey
LYIITWGLXIRESF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
49.85
TPSA
52.71
LogP / Solubility
WLOGP
0.38
MLOGP
0.34
XLogP3
-0.1
Consensus LogP
0.21
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-3.61
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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