CAS RN: 874880-91-8
TERT-BUTYL 4-(5-(AMINOMETHYL)PYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE
- Product code: SSC-197530
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
874880-91-8 / tert-butyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
Basic Information
CAS
874880-91-8
Multi CAS
No
Molecular Formula
C15H24N4O2
Molecular Weight
292.380000
Exact Mass
292.189926
InChI
InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-12(10-16)11-17-13/h4-5,11H,6-10,16H2,1-3H3
InChIKey
LFJRSFAURAIOAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.15
TPSA
71.69
LogP / Solubility
WLOGP
1.6
MLOGP
1.42
XLogP3
0.8
Consensus LogP
1.27
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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