CAS RN: 1788063-52-4
(S) -methyl 5-cyclopropyl-4- ( (1- (1- (3, 5-dichlorophenyl) ethyl) piperidin-4-yl) methoxy) -2-fluorobenzoate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260509 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251129 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250526 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250116 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250917 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1788063-52-4
- Purity/Analytical Methods: >99.0%
1788063-52-4 / 5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
Basic Information
CAS
1788063-52-4
Multi CAS
No
Molecular Formula
C25H29Cl2FN2O4S
Molecular Weight
543.500000
Exact Mass
542.120912
SMILES
C[C@@H](C1=CC(=CC(=C1)Cl)Cl)N2CCC(CC2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F
InChI
InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
InChIKey
SXOAHIZWCZOILH-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
135.35
TPSA
75.71
LogP / Solubility
WLOGP
5.55
MLOGP
4.93
XLogP3
5.7
Consensus LogP
5.39
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
3.5
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