CAS RN: 219138-24-6
2-(4-CHLOROPHENYL)-4-(4-FLUOROPHENYL)-5-PYRIDIN-4-YL-1,2-DIHYDROPYRAZOL-3-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS219138-24-6
- Purity/Analytical Methods: >99.0%
219138-24-6 / 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazol-3-one
Basic Information
CAS
219138-24-6
Multi CAS
No
Molecular Formula
C20H13ClFN3O
Molecular Weight
365.800000
Exact Mass
365.073118
SMILES
C1=CC(=CC=C1C2=C(NN(C2=O)C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F
InChI
InChI=1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H
InChIKey
DZFBYHUKZSRPHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
23
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
100.02
TPSA
50.68
LogP / Solubility
WLOGP
4.69
MLOGP
4.14
XLogP3
4.4
Consensus LogP
4.41
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
5-ethylpyridine-2-carbaldehyde(SALTDATA: FREE)
- CAS RN: 21913-84-8
- Product Code: starshine_CAS21913-84-8
- Purity/Analytical method: >99.0%
-
3”-METHOXYDAIDZEIN
- CAS RN: 21913-98-4
- Product Code: starshine_CAS21913-98-4
- Purity/Analytical method: >99.0%
-
7,3′,4′-TRIHYDROXYFLAVANONE
- CAS RN: 21913-99-5
- Product Code: starshine_CAS21913-99-5
- Purity/Analytical method: >99.0%
-
(1S,2S)-(-)-[1,2-CYCLOHEXANEDIAMINO-N,N’-BIS(3,5-DI-T-BUTYLSALICYLIDENE)]CHROMIUM(III)CHLORIDE
- CAS RN: 219143-92-7
- Product Code: SSC-105473
-
(3-phenyloxiranyl)methanol
- CAS RN: 21915-53-7
- Product Code: starshine_CAS21915-53-7
- Purity/Analytical method: >99.0%
-
![CAS 219143-92-7 (1S,2S)-(-)-[1,2-CYCLOHEXANEDIAMINO-N,N’-BIS(3,5-DI-T-BUTYLSALICYLIDENE)]CHROMIUM(III)CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/219143-92-7.gif)
