![CAS 353287-46-4 Pyrano[2,3-c]pyrazol-6(1H)-one,3,4,5-trimethyl-1-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/353287-46-4(2).gif)
CAS RN: 353287-46-4
Pyrano[2,3-c]pyrazol-6(1H)-one,3,4,5-trimethyl-1-phenyl-
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.20251214 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS353287-46-4
- Purity/Analytical Methods: >99.0%
353287-46-4 / 3,4,5-trimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one
Basic Information
CAS
353287-46-4
Multi CAS
No
Molecular Formula
C15H14N2O2
Molecular Weight
254.280000
Exact Mass
254.105528
InChI
InChI=1S/C15H14N2O2/c1-9-10(2)15(18)19-14-13(9)11(3)16-17(14)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKey
OFEQCATUQPDXDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
73.82
TPSA
48.03
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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