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CAS 1375064-54-2 Methyl 5-(4-Isopropylphenyl)isoxazole-3-carboxylate molecular structure lightbox
CAS RN: 1375064-54-2

Methyl 5-(4-Isopropylphenyl)isoxazole-3-carboxylate

  • Product code: SSC-047152
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1375064-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

1375064-54-2 / methyl 5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylate

Standard CAS: 1375064-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-54-2
Multi CAS
No
Molecular Formula
C14H15NO3
Molecular Weight
245.270000
Exact Mass
245.105193
SMILES
CC(C)C1=CC=C(C=C1)C2=CC(=NO2)C(=O)OC
InChI
InChI=1S/C14H15NO3/c1-9(2)10-4-6-11(7-5-10)13-8-12(15-18-13)14(16)17-3/h4-9H,1-3H3
InChIKey
HWLJIBJSSAAPAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
67.37
TPSA
52.33

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
3.3
Consensus LogP
3.14
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.91

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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