![CAS 757222-04-1 N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2396828.gif)
CAS RN: 757222-04-1
N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
- Product code: SSC-185180
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 | Beijing | Inquiry |
757222-04-1 / N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Basic Information
CAS
757222-04-1
Multi CAS
No
Molecular Formula
C13H10CLF3N2OS
Molecular Weight
334.740000
Exact Mass
334.015446
InChI
InChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-3-9(5-11)13(15,16)17/h2-5,7H,6H2,1H3
InChIKey
UOVPPNNRTFTOMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.94
TPSA
33.2
LogP / Solubility
WLOGP
4.59
MLOGP
4.05
XLogP3
3.5
Consensus LogP
4.05
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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