CAS RN: 71170-89-3
N-CBZ-2-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER
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.20260505 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS71170-89-3
- Purity/Analytical Methods: >99.0%
71170-89-3 / 1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
Basic Information
CAS
71170-89-3
Multi CAS
No
Molecular Formula
C18H25NO4
Molecular Weight
319.400000
Exact Mass
319.178358
InChI
InChI=1S/C18H25NO4/c1-18(2,3)23-16(20)15-11-7-8-12-19(15)17(21)22-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKey
SQJWZSZKXPYXAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.82
TPSA
55.84
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-2.17
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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