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CAS 143028-36-8 Benzene, 1,1′-sulfinylbis[4-(trifluoromethyl)- molecular structure lightbox
CAS RN: 143028-36-8

Benzene, 1,1′-sulfinylbis[4-(trifluoromethyl)-

  • Product code: SSC-054367
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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 143028-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

143028-36-8 / 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]sulfinylbenzene

Standard CAS: 143028-36-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143028-36-8
Multi CAS
No
Molecular Formula
C14H8F6OS
Molecular Weight
338.270000
Exact Mass
338.020005
SMILES
C1=CC(=CC=C1C(F)(F)F)S(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H8F6OS/c15-13(16,17)9-1-5-11(6-2-9)22(21)12-7-3-10(4-8-12)14(18,19)20/h1-8H
InChIKey
CNVAMALKSHUQPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
67.56
TPSA
17.07

LogP / Solubility

WLOGP
4.89
MLOGP
4.32
XLogP3
4.5
Consensus LogP
4.57
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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