CAS RN: 923009-49-8
1,3-Piperidinedicarboxylic acid, 3-(cyanomethyl)-, 1-(1,1-dimethylethyl) 3-ethyl 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.20250503 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS923009-49-8
- Purity/Analytical Methods: >99.0%
923009-49-8 / 1-O-tert-butyl 3-O-ethyl 3-(cyanomethyl)piperidine-1,3-dicarboxylate
Basic Information
CAS
923009-49-8
Multi CAS
Yes
Molecular Formula
C15H24N2O4
Molecular Weight
296.360000
Exact Mass
296.173607
InChI
InChI=1S/C15H24N2O4/c1-5-20-12(18)15(8-9-16)7-6-10-17(11-15)13(19)21-14(2,3)4/h5-8,10-11H2,1-4H3
InChIKey
FHDJXVYVZDYORH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
76.34
TPSA
79.63
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
1.3
Consensus LogP
1.99
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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