CAS RN: 915370-15-9
1-Piperidinecarboxylic acid, 4-(4-forMyl-1H-1,2,3-triazol-1-yl)-, 1,1-diMethylethyl 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.20250117 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS915370-15-9
- Purity/Analytical Methods: >99.0%
915370-15-9 / tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
Basic Information
CAS
915370-15-9
Multi CAS
No
Molecular Formula
C13H20N4O3
Molecular Weight
280.320000
Exact Mass
280.153541
InChI
InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-10(9-18)14-15-17/h8-9,11H,4-7H2,1-3H3
InChIKey
FHKWIQQVFYABSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
71.49
TPSA
77.32
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
0.8
Consensus LogP
1.31
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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