CAS RN: 89193-22-6
1,3,5-trimethyl-1H-pyrazol-4-ol
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.20251028 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS89193-22-6
- Purity/Analytical Methods: >99.0%
89193-22-6 / 1,3,5-trimethylpyrazol-4-ol
Basic Information
CAS
89193-22-6
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
InChI
InChI=1S/C6H10N2O/c1-4-6(9)5(2)8(3)7-4/h9H,1-3H3
InChIKey
HAJMFBQNIMHGFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.35
TPSA
38.05
LogP / Solubility
WLOGP
0.74
MLOGP
0.64
XLogP3
0.7
Consensus LogP
0.69
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-2.96
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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