![CAS 881634-13-5 ETHYL 2-(5-CHLOROBENZO[D]THIAZOL-2-YL)ACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/881634-13-5.gif)
CAS RN: 881634-13-5
ETHYL 2-(5-CHLOROBENZO[D]THIAZOL-2-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.20250318 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS881634-13-5
- Purity/Analytical Methods: >99.0%
881634-13-5 / ethyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
Basic Information
CAS
881634-13-5
Multi CAS
No
Molecular Formula
C11H10CLNO2S
Molecular Weight
255.720000
Exact Mass
255.012077
InChI
InChI=1S/C11H10ClNO2S/c1-2-15-11(14)6-10-13-8-5-7(12)3-4-9(8)16-10/h3-5H,2,6H2,1H3
InChIKey
WQNHAHGRGWWDNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
64.97
TPSA
39.19
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.11
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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