CAS RN: 885278-69-3
2-(4-ETHYL-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
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.20250331 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885278-69-3
- Purity/Analytical Methods: >99.0%
885278-69-3 / ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
Basic Information
CAS
885278-69-3
Multi CAS
No
Molecular Formula
C14H15NO2S
Molecular Weight
261.340000
Exact Mass
261.082350
InChI
InChI=1S/C14H15NO2S/c1-3-10-5-7-11(8-6-10)13-15-12(9-18-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
InChIKey
VZKQGDPMMDOKOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
72.88
TPSA
39.19
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
4
Consensus LogP
3.56
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 885278-75-1
- Product Code: SSC-199404
-
4-Thiazolecarboxylicacid,2-(2-bromophenyl)-,ethylester(9CI)
- CAS RN: 885278-78-4
- Product Code: SSC-199405
-
-
