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CAS 214353-91-0 4-(CHLOROSULFONYL)-4”-(TRIFLUOROMETHYL)DIPHENYL ETHER, 97% MIN. molecular structure lightbox
CAS RN: 214353-91-0

4-(CHLOROSULFONYL)-4”-(TRIFLUOROMETHYL)DIPHENYL ETHER, 97% MIN.

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-102761
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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 214353-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

214353-91-0 / 4-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride

Standard CAS: 214353-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214353-91-0
Multi CAS
No
Molecular Formula
C13H8ClF3O3S
Molecular Weight
336.710000
Exact Mass
335.983478
SMILES
C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H8ClF3O3S/c14-21(18,19)12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)13(15,16)17/h1-8H
InChIKey
QODMBCGXOCMXKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
71
TPSA
43.37

LogP / Solubility

WLOGP
4.43
MLOGP
3.91
XLogP3
4.4
Consensus LogP
4.25
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

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)
-1.63

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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