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CAS 163035-65-2 2,2-Difluoroethyl mesylate molecular structure lightbox
CAS RN: 163035-65-2

2,2-Difluoroethyl mesylate

  • Product code: SSC-070600
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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
  • Available purity: ≥95%
  • 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 163035-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

163035-65-2 / 2,2-difluoroethyl methanesulfonate

Standard CAS: 163035-65-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
163035-65-2
Multi CAS
No
Molecular Formula
C3H6F2O3S
Molecular Weight
160.140000
Exact Mass
160.000572
SMILES
CS(=O)(=O)OCC(F)F
InChI
InChI=1S/C3H6F2O3S/c1-9(6,7)8-2-3(4)5/h3H,2H2,1H3
InChIKey
JVLBOSKDGOGFEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
26.8
TPSA
43.37

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
0.5
Consensus LogP
0.31
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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