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CAS 24974-72-9 (3-FLUORO-PHENYL)-METHANESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 24974-72-9

(3-FLUORO-PHENYL)-METHANESULFONYL CHLORIDE

  • Product code: SSC-120333
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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 24974-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

24974-72-9 / (3-fluorophenyl)methanesulfonyl chloride

Standard CAS: 24974-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24974-72-9
Multi CAS
No
Molecular Formula
C7H6ClFO2S
Molecular Weight
208.640000
Exact Mass
207.976107
SMILES
C1=CC(=CC(=C1)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
QKGIPEQAFOXGSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.88
TPSA
34.14

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-2.65

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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