CAS RN: 852033-49-9
2-CHLORO-N-(2-FURYLMETHYL)-N-(2,2,2-TRIFLUOROETHYL)ACETAMIDE
- Product code: SSC-193440
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 | Shenzhen | Inquiry |
852033-49-9 / 2-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
Basic Information
CAS
852033-49-9
Multi CAS
No
Molecular Formula
C9H9CLF3NO2
Molecular Weight
255.620000
Exact Mass
255.027391
InChI
InChI=1S/C9H9ClF3NO2/c10-4-8(15)14(6-9(11,12)13)5-7-2-1-3-16-7/h1-3H,4-6H2
InChIKey
KDQRVVWZCXJTOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
50.9
TPSA
33.45
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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