CAS RN: 795310-80-4
4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
- Product code: SSC-188674
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 |
795310-80-4 / 3-methyl-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
Basic Information
CAS
795310-80-4
Multi CAS
No
Molecular Formula
C8H14CLN3O
Molecular Weight
203.670000
Exact Mass
203.082540
InChI
InChI=1S/C8H13N3O.ClH/c1-6-10-8(12-11-6)7-2-4-9-5-3-7;/h7,9H,2-5H2,1H3;1H
InChIKey
STSYIKRBUQPSKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.13
TPSA
50.95
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.06
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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