CAS RN: 613678-03-8
(6-aMinopyridin-2-yl)(1-Methylpiperidin-4-yl)Methanone
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-170225
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
613678-03-8 / (6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone
Basic Information
CAS
613678-03-8
Multi CAS
No
Molecular Formula
C12H17N3O
Molecular Weight
219.280000
Exact Mass
219.137162
InChI
InChI=1S/C12H17N3O/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10/h2-4,9H,5-8H2,1H3,(H2,13,14)
InChIKey
YLTJVIIEHKBRPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.2
TPSA
59.22
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
1
Consensus LogP
1.08
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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