CAS RN: 849925-01-5
3-(5-PIPERIDIN-4-YL-1,2,4-OXADIAZOL-3-YL)PYRIDINE
- Product code: SSC-192785
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 | Hong Kong | Inquiry |
849925-01-5 / 5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole
Basic Information
CAS
849925-01-5
Multi CAS
Yes
Molecular Formula
C12H14N4O
Molecular Weight
230.270000
Exact Mass
230.116761
InChI
InChI=1S/C12H14N4O/c1-2-10(8-14-5-1)11-15-12(17-16-11)9-3-6-13-7-4-9/h1-2,5,8-9,13H,3-4,6-7H2
InChIKey
DYVVZZYZACPGHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.37
TPSA
63.84
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
0.9
Consensus LogP
1.3
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
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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