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CAS 895572-60-8 5-Methyl-3-(piperidin-3-yl)-1,2,4-oxadiazole hydrochloride molecular structure lightbox
CAS RN: 895572-60-8

5-Methyl-3-(piperidin-3-yl)-1,2,4-oxadiazole hydrochloride

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260123 100mg / 250mg / 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260103 100mg In stock Shanghai Inquiry
Batchno.20251019 1g In stock Shanghai Inquiry
Batchno.20260122 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS895572-60-8
  • Purity/Analytical Methods: >99.0%
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895572-60-8 / 5-methyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride

Standard CAS: 895572-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
895572-60-8
Multi CAS
No
Molecular Formula
C8H14CLN3O
Molecular Weight
203.670000
Exact Mass
203.082540
InChI
InChI=1S/C8H13N3O.ClH/c1-6-10-8(11-12-6)7-3-2-4-9-5-7;/h7,9H,2-5H2,1H3;1H
InChIKey
XZTRLUGKPUKFSB-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
2

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