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CAS 1247407-83-5 2-(2-Methoxyethyl)oxazole-4-carboxylic Acid molecular structure lightbox
CAS RN: 1247407-83-5

2-(2-Methoxyethyl)oxazole-4-carboxylic Acid

  • Product code: SSC-028900
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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, 0.1g, 0.25g, 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 1247407-83-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry

1247407-83-5 / 2-(2-methoxyethyl)-1,3-oxazole-4-carboxylic acid

Standard CAS: 1247407-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247407-83-5
Multi CAS
No
Molecular Formula
C7H9NO4
Molecular Weight
171.150000
Exact Mass
171.053158
SMILES
COCCC1=NC(=CO1)C(=O)O
InChI
InChI=1S/C7H9NO4/c1-11-3-2-6-8-5(4-12-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
OACBFPDZDYZRSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.04
TPSA
72.56

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
XLogP3
0.3
Consensus LogP
0.45
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

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