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CAS 200862-70-0 4,4”-Bis(4,4,5,5,6,6,6-heptafluoro-1,3-dioxohexyl)-o-terphenyl-4′-sulfonyl chloride molecular structure lightbox
CAS RN: 200862-70-0

4,4”-Bis(4,4,5,5,6,6,6-heptafluoro-1,3-dioxohexyl)-o-terphenyl-4′-sulfonyl chloride

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 100mg In stock Shanghai Inquiry
Batchno.20251124 250mg Out of stock Inquiry
Batchno.20250116 50mg Out of stock Inquiry
  • Product code: SSC-094777
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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: 0.1g
  • 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 200862-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

200862-70-0 / 3,4-bis[4-(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)phenyl]benzenesulfonyl chloride

Standard CAS: 200862-70-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
200862-70-0
Multi CAS
No
Molecular Formula
C30H15ClF14O6S
Molecular Weight
804.900000
Exact Mass
804.005431
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)S(=O)(=O)Cl)C3=CC=C(C=C3)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C30H15ClF14O6S/c31-52(50,51)18-9-10-19(14-1-5-16(6-2-14)21(46)12-23(48)25(32,33)27(36,37)29(40,41)42)20(11-18)15-3-7-17(8-4-15)22(47)13-24(49)26(34,35)28(38,39)30(43,44)45/h1-11H,12-13H2
InChIKey
SXOYJUDQQHVGHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
13
H-bond acceptors
6
Molar refractivity
150.16
TPSA
102.42

LogP / Solubility

WLOGP
8.9
MLOGP
7.9
XLogP3
9.2
Consensus LogP
8.67
Log S (ESOL)
-9.83
Class (ESOL)
Insoluble
Log S (Ali)
-12.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.84
Class (SILICOS-IT)
Insoluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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