CAS RN: 2479465-67-1
VUN65671
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.20251120 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2479465-67-1
- Purity/Analytical Methods: >99.0%
2479465-67-1 / N-[4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
Basic Information
CAS
2479465-67-1
Multi CAS
Yes
Molecular Formula
C25H30F3N3O2
Molecular Weight
461.500000
Exact Mass
461.229012
InChI
InChI=1S/C25H30F3N3O2/c1-18-8-10-31(11-9-18)23-7-6-21(16-22(23)25(26,27)28)29-24(32)20-4-2-19(3-5-20)17-30-12-14-33-15-13-30/h2-7,16,18H,8-15,17H2,1H3,(H,29,32)
InChIKey
VVJSZYWIEBDKTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
122.55
TPSA
44.81
LogP / Solubility
WLOGP
5.03
MLOGP
4.45
XLogP3
4.5
Consensus LogP
4.66
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 2484739-25-3 5H-Pyrazolo[4,3-c]pyridine-5-carboxamide, 3-[7-(difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1-[1-[15-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]amino]-1-oxo-4,7,10,13-tetraoxapentadec-1-yl]-4-piperidinyl]-1,4,6,7-tetrahydro-N-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2484739-25-3.gif)
![CAS 2488788-52-7 Methanone, [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-chloro-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl](tetrahydro-4-methoxy-2H-pyran-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2488788-52-7.gif)
