![CAS 85094-13-9 3-Methyl-1,4-diphenylpyrano[2,3-c]pyrazol-6(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/85094-13-9.png)
CAS RN: 85094-13-9
3-Methyl-1,4-diphenylpyrano[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.20260531 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM889083
85094-13-9 / 3-methyl-1,4-diphenylpyrano[3,2-d]pyrazol-6-one
Basic Information
CAS
85094-13-9
Multi CAS
No
Molecular Formula
C19H14N2O2
Molecular Weight
302.300000
Exact Mass
302.105528
InChI
InChI=1S/C19H14N2O2/c1-13-18-16(14-8-4-2-5-9-14)12-17(22)23-19(18)21(20-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
PCKPUWXZDWJNMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
89.78
TPSA
48.03
LogP / Solubility
WLOGP
3.95
MLOGP
3.49
XLogP3
3.8
Consensus LogP
3.75
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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