![CAS 5775-94-0 1,3,4-Trimethylpyrano[2,3-c]pyrazol-6(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/5775-94-0.png)
CAS RN: 5775-94-0
1,3,4-Trimethylpyrano[2,3-c]pyrazol-6(1H)-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.20250116 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT889067
5775-94-0 / 1,3,4-trimethylpyrano[3,2-d]pyrazol-6-one
Basic Information
CAS
5775-94-0
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
InChI
InChI=1S/C9H10N2O2/c1-5-4-7(12)13-9-8(5)6(2)10-11(9)3/h4H,1-3H3
InChIKey
HIIWFJVGTUDPDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
H-bond acceptors
4
Molar refractivity
48.72
TPSA
48.03
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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
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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