CAS RN: 82-98-4
PIPERIDOLATE
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.20250610 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82-98-4
- Purity/Analytical Methods: >99.0%
82-98-4 / (1-ethylpiperidin-3-yl) 2,2-diphenylacetate
Basic Information
CAS
82-98-4
Multi CAS
Yes
Molecular Formula
C21H25NO2
Molecular Weight
323.400000
Exact Mass
323.188529
InChI
InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
InChIKey
KTHVBAZBLKXIHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
95.96
TPSA
29.54
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
4.4
Consensus LogP
3.88
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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