CAS RN: 133047-44-6
4-Thiazolecarboxylicacid,2-(1-methylethyl)-,ethylester(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-039702
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: 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
133047-44-6 / ethyl 2-propan-2-yl-1,3-thiazole-4-carboxylate
Basic Information
CAS
133047-44-6
Multi CAS
No
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
SMILES
CCOC(=O)C1=CSC(=N1)C(C)C
InChI
InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5-13-8(10-7)6(2)3/h5-6H,4H2,1-3H3
InChIKey
AQWWEQDAHKVXMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
52.16
TPSA
39.19
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.7
Consensus LogP
2.43
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.2
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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