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: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
933759-69-4 / 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylic acid
Basic Information
CAS
933759-69-4
Multi CAS
Yes
Molecular Formula
C7H4N2O3S
Molecular Weight
196.190000
Exact Mass
195.994263
InChI
InChI=1S/C7H4N2O3S/c10-7(11)4-3-5(12-9-4)6-8-1-2-13-6/h1-3H,(H,10,11)
InChIKey
GJYQCDMPWRJWNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.57
TPSA
76.22
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.85
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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