![CAS 568567-09-9 3-(6-CHLORO-IMIDAZO[2,1-B]THIAZOL-5-YL)-ACRYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2253972.gif)
CAS RN: 568567-09-9
3-(6-CHLORO-IMIDAZO[2,1-B]THIAZOL-5-YL)-ACRYLIC ACID
- Product code: SSC-164884
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
568567-09-9 / (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
Basic Information
CAS
568567-09-9
Multi CAS
Yes
Molecular Formula
C8H5CLN2O2S
Molecular Weight
228.660000
Exact Mass
227.976026
InChI
InChI=1S/C8H5ClN2O2S/c9-7-5(1-2-6(12)13)11-3-4-14-8(11)10-7/h1-4H,(H,12,13)/b2-1+
InChIKey
ZBYRHXXVGNUDRH-OWOJBTEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.75
TPSA
54.6
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.8
Consensus LogP
2.28
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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