CAS RN: 419547-11-8
NAV2729
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 100mg | Out of stock | Inquiry | |
| Batchno.20250812 | 10mg | In stock | Wuhan | Inquiry |
| Batchno.20251213 | 10mg | In stock | Shandong | Inquiry |
| Batchno.20260510 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250402 | 250mg | Out of stock | Inquiry | |
| Batchno.20260423 | 25mg | Out of stock | Inquiry | |
| Batchno.20250711 | 50mg | Out of stock | Inquiry | |
| Batchno.20260531 | 5mg | In stock | Wuhan | Inquiry |
| Batchno.20250223 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS419547-11-8
- Purity/Analytical Methods: >99.0%
419547-11-8 / 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Basic Information
CAS
419547-11-8
Multi CAS
Yes
Molecular Formula
C25H17CLN4O3
Molecular Weight
456.900000
Exact Mass
456.098918
InChI
InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,28H,14H2
InChIKey
WHYGBVWGARJOCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
127.6
TPSA
93.3
LogP / Solubility
WLOGP
5.51
MLOGP
4.88
XLogP3
5.3
Consensus LogP
5.23
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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