CAS RN: 917925-59-8
tert-Butyl 4-amino-4-(4-chlorophenyl)piperidine-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.20250125 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS917925-59-8
- Purity/Analytical Methods: >99.0%
917925-59-8 / tert-butyl 4-amino-4-(4-chlorophenyl)piperidine-1-carboxylate
Basic Information
CAS
917925-59-8
Multi CAS
No
Molecular Formula
C16H23CLN2O2
Molecular Weight
310.820000
Exact Mass
310.144806
InChI
InChI=1S/C16H23ClN2O2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-4-6-13(17)7-5-12/h4-7H,8-11,18H2,1-3H3
InChIKey
RFZDLGITJYKDKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.36
TPSA
55.56
LogP / Solubility
WLOGP
3.52
MLOGP
3.12
XLogP3
2.6
Consensus LogP
3.08
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
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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