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CAS 1359822-66-4 3-Chloro-5-methyl-1,2,4-oxadiazole molecular structure lightbox
CAS RN: 1359822-66-4

3-Chloro-5-methyl-1,2,4-oxadiazole

  • Product code: SSC-044572
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1359822-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

1359822-66-4 / 3-chloro-5-methyl-1,2,4-oxadiazole

Standard CAS: 1359822-66-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1359822-66-4
Multi CAS
No
Molecular Formula
C3H3ClN2O
Molecular Weight
118.520000
Exact Mass
117.993390
SMILES
CC1=NC(=NO1)Cl
InChI
InChI=1S/C3H3ClN2O/c1-2-5-3(4)6-7-2/h1H3
InChIKey
UBCHWZCUZUNNHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
24.04
TPSA
38.92

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1.5
Consensus LogP
1.14
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-2.71

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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