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CAS 145349-17-3 2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate molecular structure lightbox
CAS RN: 145349-17-3

2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate

  • Product code: SSC-056696
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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, 5g, 10g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 145349-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

145349-17-3 / (2-fluoro-2-methylpropyl) trifluoromethanesulfonate

Standard CAS: 145349-17-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
145349-17-3
Multi CAS
No
Molecular Formula
C5H8F4O3S
Molecular Weight
224.180000
Exact Mass
224.013028
SMILES
CC(C)(COS(=O)(=O)C(F)(F)F)F
InChI
InChI=1S/C5H8F4O3S/c1-4(2,6)3-12-13(10,11)5(7,8)9/h3H2,1-2H3
InChIKey
OJFXAMILNHYNSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
36.11
TPSA
43.37

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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