CAS RN: 60456-92-0
5-hydroxy-pyrazole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260501 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS60456-92-0
- Purity/Analytical Methods: >99.0%
60456-92-0 / 1,2-dihydropyrazol-3-one
Basic Information
CAS
60456-92-0
Multi CAS
No
Molecular Formula
C3H4N2O
Molecular Weight
84.080000
Exact Mass
84.032363
InChI
InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)
InChIKey
XBYRMPXUBGMOJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
21.41
TPSA
48.65
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.28
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.04
Class (SILICOS-IT)
Highly 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)
-3.44
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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