![CAS 664967-24-2 5-Benzyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/664967-24-2.png)
CAS RN: 664967-24-2
5-Benzyl-3,4-dimethyl-1-phenylpyrano[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.20260628 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889071
664967-24-2 / 5-benzyl-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one
Basic Information
CAS
664967-24-2
Multi CAS
No
Molecular Formula
C21H18N2O2
Molecular Weight
330.400000
Exact Mass
330.136828
InChI
InChI=1S/C21H18N2O2/c1-14-18(13-16-9-5-3-6-10-16)21(24)25-20-19(14)15(2)22-23(20)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3
InChIKey
SNJSWHSZKDUATR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
98.33
TPSA
48.03
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
4.5
Consensus LogP
4.13
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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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