CAS RN: 578021-55-3
1,4-Piperidinedicarboxylic acid, 4-ethyl-, 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.20250305 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS578021-55-3
- Purity/Analytical Methods: >99.0%
578021-55-3 / 1-O-tert-butyl 4-O-methyl 4-ethylpiperidine-1,4-dicarboxylate
Basic Information
CAS
578021-55-3
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
InChI
InChI=1S/C14H25NO4/c1-6-14(11(16)18-5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
InChIKey
XTVJBGBETZFXJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.78
TPSA
55.84
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-2.54
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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