CAS RN: 495415-08-2
1,4-Piperidinedicarboxylic acid, 4-Methoxy-, 1-(1,1-diMethylethyl) 4-Methyl 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.20250404 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS495415-08-2
- Purity/Analytical Methods: >99.0%
495415-08-2 / 1-O-tert-butyl 4-O-methyl 4-methoxypiperidine-1,4-dicarboxylate
Basic Information
CAS
495415-08-2
Multi CAS
No
Molecular Formula
C13H23NO5
Molecular Weight
273.330000
Exact Mass
273.157623
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-8-6-13(18-5,7-9-14)10(15)17-4/h6-9H2,1-5H3
InChIKey
MPSOCQILFQVTCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
68.8
TPSA
65.07
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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