CAS RN: 906329-30-4
1-BOC-4-CYANO-4-BENZYL-PIPERIDINE
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.20250704 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS906329-30-4
- Purity/Analytical Methods: >99.0%
906329-30-4 / tert-butyl 4-benzyl-4-cyanopiperidine-1-carboxylate
Basic Information
CAS
906329-30-4
Multi CAS
No
Molecular Formula
C18H24N2O2
Molecular Weight
300.400000
Exact Mass
300.183778
InChI
InChI=1S/C18H24N2O2/c1-17(2,3)22-16(21)20-11-9-18(14-19,10-12-20)13-15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3
InChIKey
JYTNTPVAHFHIKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.23
TPSA
53.33
LogP / Solubility
WLOGP
3.77
MLOGP
3.33
XLogP3
3.1
Consensus LogP
3.4
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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