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CAS 461-28-9 3-Fluoro-1-propanesulfonyl chloride molecular structure lightbox
CAS RN: 461-28-9

3-Fluoro-1-propanesulfonyl chloride

  • Product code: SSC-153650
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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: 0.25g
  • 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 461-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

461-28-9 / 1-chlorosulfinyloxy-3-fluoropropane

Standard CAS: 461-28-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
461-28-9
Multi CAS
Yes
Molecular Formula
C3H6CLFO2S
Molecular Weight
160.600000
Exact Mass
159.976107
InChI
InChI=1S/C3H6ClFO2S/c4-8(6)7-3-1-2-5/h1-3H2
InChIKey
VHWOGCZOYFJDEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
30.54
TPSA
26.3

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1.6
Consensus LogP
1.27
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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