CAS RN: 214833-98-4
Ethyl 2-(2-broMothiazol-5-yl)acetate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-103000
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
214833-98-4 / ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
Basic Information
CAS
214833-98-4
Multi CAS
No
Molecular Formula
C7H8BrNO2S
Molecular Weight
250.120000
Exact Mass
248.945910
SMILES
CCOC(=O)CC1=CN=C(S1)Br
InChI
InChI=1S/C7H8BrNO2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3
InChIKey
NYDWRDWAJQLFCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.15
TPSA
39.19
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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