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CAS 4241-66-1 4-iodobenzenesulfonyl fluoride molecular structure lightbox
CAS RN: 4241-66-1

4-iodobenzenesulfonyl fluoride

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260111 100mg Out of stock Inquiry
Batchno.20260629 10g Out of stock Inquiry
Batchno.20250110 250mg Out of stock Inquiry
Batchno.20260423 50mg Out of stock Inquiry
  • Product code: starshine_CAS4241-66-1
  • Purity/Analytical Methods: >99.0%
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4241-66-1 / 4-iodobenzenesulfonyl fluoride

Standard CAS: 4241-66-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4241-66-1
Multi CAS
Yes
Molecular Formula
C6FH4IO2S
Molecular Weight
286.060000
Exact Mass
285.896080
InChI
InChI=1S/C6H4FIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKey
ATWMMWPERDAQSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.45
TPSA
34.14

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
3
Consensus LogP
2.23
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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