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CAS 196301-95-8 Methyl 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoate molecular structure lightbox
CAS RN: 196301-95-8

Methyl 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoate

  • Product code: SSC-092721
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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 196301-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry

196301-95-8 / methyl 4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate

Standard CAS: 196301-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196301-95-8
Multi CAS
No
Molecular Formula
C12H12N2O3
Molecular Weight
232.230000
Exact Mass
232.084792
SMILES
CCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C12H12N2O3/c1-3-10-13-11(14-17-10)8-4-6-9(7-5-8)12(15)16-2/h4-7H,3H2,1-2H3
InChIKey
QOGXGTZPJKLMBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
60.45
TPSA
65.22

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.5
Consensus LogP
2.14
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

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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