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CAS 39234-86-1 3,5-Bis(trifluoromethyl)benzenesulfonyl Chloride molecular structure lightbox
CAS RN: 39234-86-1

3,5-Bis(trifluoromethyl)benzenesulfonyl Chloride

  • Product code: SSC-146928
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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: 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 39234-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

39234-86-1 / 3,5-bis(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 39234-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39234-86-1
Multi CAS
No
Molecular Formula
C8H3CLF6O2S
Molecular Weight
312.620000
Exact Mass
311.944647
InChI
InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKey
BTRCVKADYDVSLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.48
TPSA
34.14

LogP / Solubility

WLOGP
3.65
MLOGP
3.23
XLogP3
4.3
Consensus LogP
3.73
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

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