![CAS 419546-29-5 3-(4-Chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/419546-29-5.png)
CAS RN: 419546-29-5
3-(4-Chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-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.20250412 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: LINC929705
419546-29-5 / 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Basic Information
CAS
419546-29-5
Multi CAS
No
Molecular Formula
C19H14CLN3O
Molecular Weight
335.800000
Exact Mass
335.082540
InChI
InChI=1S/C19H14ClN3O/c1-12-18(14-7-9-15(20)10-8-14)19-21-16(11-17(24)23(19)22-12)13-5-3-2-4-6-13/h2-11,22H,1H3
InChIKey
QMVSXNGQKIFBMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.43
TPSA
50.16
LogP / Solubility
WLOGP
4.32
MLOGP
3.82
XLogP3
3.9
Consensus LogP
4.01
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-1.7
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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