CAS RN: 310392-94-0
Wf-516
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS310392-94-0
- Purity/Analytical Methods: >99.0%
310392-94-0 / (2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
Basic Information
CAS
310392-94-0
Multi CAS
Yes
Molecular Formula
C25H25CL2N3O4
Molecular Weight
502.400000
Exact Mass
501.122212
InChI
InChI=1S/C25H25Cl2N3O4/c1-15-28-29-25(33-15)24-12-19-22(3-2-4-23(19)34-24)32-14-18(31)13-30-9-7-16(8-10-30)17-5-6-20(26)21(27)11-17/h2-6,11-12,16,18,31H,7-10,13-14H2,1H3/t18-/m0/s1
InChIKey
XIYDIPLATGRHEC-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
20
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
130.62
TPSA
84.76
LogP / Solubility
WLOGP
5.72
MLOGP
5.07
XLogP3
5.1
Consensus LogP
5.3
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4
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