CAS RN: 1619991-24-0
trifluoroacetic acid
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.20250303 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-069482
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 |
1619991-24-0 / N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
1619991-24-0
Multi CAS
No
Molecular Formula
C7H13F3N2O4S
Molecular Weight
278.250000
Exact Mass
278.054813
SMILES
CN(C1CNC1)S(=O)(=O)C.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C5H12N2O2S.C2HF3O2/c1-7(10(2,8)9)5-3-6-4-5;3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;(H,6,7)
InChIKey
GZZBNCRKZQXKBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.96
TPSA
86.71
LogP / Solubility
WLOGP
-0.52
MLOGP
-0.45
XLogP3
-0.52
Consensus LogP
-0.5
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.78
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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