CAS RN: 51221-43-3
(4-METHYL-THIAZOL-2-YL)-ACETIC ACID ETHYL ESTER
- Product code: SSC-158059
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 |
51221-43-3 / ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
Basic Information
CAS
51221-43-3
Multi CAS
Yes
Molecular Formula
C8H11NO2S
Molecular Weight
185.250000
Exact Mass
185.051050
InChI
InChI=1S/C8H11NO2S/c1-3-11-8(10)4-7-9-6(2)5-12-7/h5H,3-4H2,1-2H3
InChIKey
QFXRMMDXBTYQKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
47.19
TPSA
39.19
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.74
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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