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CAS 1440955-11-2 1-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine hydrochloride molecular structure lightbox
CAS RN: 1440955-11-2

1-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine hydrochloride

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 100mg Out of stock Inquiry
Batchno.20260127 1g In stock Shenzhen Inquiry
Batchno.20260319 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1440955-11-2
  • Purity/Analytical Methods: >99.0%
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1440955-11-2 / 5-methyl-3-piperazin-1-yl-1,2,4-oxadiazole;hydrochloride

Standard CAS: 1440955-11-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1440955-11-2
Multi CAS
No
Molecular Formula
C7H13ClN4O
Molecular Weight
204.660000
Exact Mass
204.077789
SMILES
CC1=NC(=NO1)N2CCNCC2.Cl
InChI
InChI=1S/C7H12N4O.ClH/c1-6-9-7(10-12-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H
InChIKey
KUOKMUKOOXRLQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.37
TPSA
54.19

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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