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CAS 886499-99-6 3-FLUORO-5-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE molecular structure lightbox
CAS RN: 886499-99-6

3-FLUORO-5-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE

  • Product code: SSC-200028
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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 886499-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

886499-99-6 / 3-fluoro-5-(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 886499-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886499-99-6
Multi CAS
No
Molecular Formula
C7H3CLF4O2S
Molecular Weight
262.610000
Exact Mass
261.947841
InChI
InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-4(7(10,11)12)1-5(9)3-6/h1-3H
InChIKey
LANWEGQCPRKLAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.44
TPSA
34.14

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
2.9
Consensus LogP
2.71
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

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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