CAS RN: 847615-14-9
TERT-BUTYL 4-(4-BROMOPHENYL)-4-CYANOPIPERIDINE-1-CARBOXYLATE
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.20251111 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS847615-14-9
- Purity/Analytical Methods: >99.0%
847615-14-9 / tert-butyl 4-(4-bromophenyl)-4-cyanopiperidine-1-carboxylate
Basic Information
CAS
847615-14-9
Multi CAS
Yes
Molecular Formula
BC17H21O2Rn2
Molecular Weight
365.300000
Exact Mass
364.078640
InChI
InChI=1S/C17H21BrN2O2/c1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-4-6-14(18)7-5-13/h4-7H,8-11H2,1-3H3
InChIKey
YZTMSLPZCMCBNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
88.47
TPSA
53.33
LogP / Solubility
WLOGP
4.24
MLOGP
3.75
XLogP3
3.5
Consensus LogP
3.83
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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
Yes
Log Kp (skin permeation)
-1.94
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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