![CAS 565165-72-2 2-CHLORO-N-[4-(3,4-DIFLUORO-PHENYL)-THIAZOL-2-YL]-PROPIONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0420451.gif)
CAS RN: 565165-72-2
2-CHLORO-N-[4-(3,4-DIFLUORO-PHENYL)-THIAZOL-2-YL]-PROPIONAMIDE
- Product code: SSC-164479
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 |
565165-72-2 / 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
Basic Information
CAS
565165-72-2
Multi CAS
No
Molecular Formula
C12H9CLF2N2OS
Molecular Weight
302.730000
Exact Mass
302.009218
InChI
InChI=1S/C12H9ClF2N2OS/c1-6(13)11(18)17-12-16-10(5-19-12)7-2-3-8(14)9(15)4-7/h2-6H,1H3,(H,16,17,18)
InChIKey
BLOXIDYZMHFRLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.41
TPSA
41.99
LogP / Solubility
WLOGP
3.65
MLOGP
3.23
XLogP3
3.3
Consensus LogP
3.39
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
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
2
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