![CAS 1620820-12-3 4-Methyl-3-[[6-(methylamino)-4-pyrimidinyl]oxy]-N-[3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1620820-12-3.gif)
CAS RN: 1620820-12-3
4-Methyl-3-[[6-(methylamino)-4-pyrimidinyl]oxy]-N-[3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]benzamide
Product Availability
Choose a grade to view its available package options.
13 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260313 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251005 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250922 | 250mg | Out of stock | Inquiry | |
| Batchno.20250915 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250611 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251017 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1620820-12-3
- Purity/Analytical Methods: >99.0%
1620820-12-3 / 4-methyl-3-[6-(methylamino)pyrimidin-4-yl]oxy-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
Basic Information
CAS
1620820-12-3
Multi CAS
No
Molecular Formula
C25H27F3N6O2
Molecular Weight
500.500000
Exact Mass
500.214759
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3CCN(CC3)C)OC4=NC=NC(=C4)NC
InChI
InChI=1S/C25H27F3N6O2/c1-16-4-5-17(10-21(16)36-23-14-22(29-2)30-15-31-23)24(35)32-19-11-18(25(26,27)28)12-20(13-19)34-8-6-33(3)7-9-34/h4-5,10-15H,6-9H2,1-3H3,(H,32,35)(H,29,30,31)
InChIKey
HXKJJIMUMNPQQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
131.94
TPSA
82.62
LogP / Solubility
WLOGP
4.64
MLOGP
4.12
XLogP3
4.4
Consensus LogP
4.39
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 1620842-86-5 (2S,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(2S,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid
- CAS RN: 1620842-86-5
- Product Code: SSC-069613
-
1-(tert-Butoxycarbonyl)-3,3-dimethylazetidine-2-carboxylic acid
- CAS RN: 1620842-88-7
- Product Code: SSC-069614
-
4′,4”’-Di-O-methylisochamaejasmin
- CAS RN: 1620921-68-7
- Product Code: starshine_CAS1620921-68-7
- Purity/Analytical method: >99.0%
-
-
Benzoic acid, 4,4′,4”,4”’-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,3,13,14-tetrayl)tetrakis-
- CAS RN: 1620959-59-2
- Product Code: starshine_CAS1620959-59-2
- Purity/Analytical method: >99.0%
-
9-mesityl-10-phenylacridin-10-ium tetrafluoroborate
- CAS RN: 1621019-96-2
- Product Code: SSC-069635
![CAS 1620842-86-5 (2S,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1620842-86-5.gif)
![CAS 1620959-59-2 Benzoic acid, 4,4′,4”,4”’-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,3,13,14-tetrayl)tetrakis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1620959-59-2.gif)
