CAS RN: 914347-76-5
3-(5-BROMOPYRIMIDIN-2-YLOXY)PIPERIDINE-1-CARBOXYLIC ACID TERT-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.20260421 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914347-76-5
- Purity/Analytical Methods: >99.0%
914347-76-5 / tert-butyl 3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carboxylate
Basic Information
CAS
914347-76-5
Multi CAS
No
Molecular Formula
BC14H20O3Rn3
Molecular Weight
358.230000
Exact Mass
357.068800
InChI
InChI=1S/C14H20BrN3O3/c1-14(2,3)21-13(19)18-6-4-5-11(9-18)20-12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3
InChIKey
GKKCIZYFXVJWRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
81.19
TPSA
64.55
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
2.6
Consensus LogP
2.76
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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
Yes
Log Kp (skin permeation)
-2.76
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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