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CAS 67475-55-2 Benzenesulfonyl chloride, 3-fluoro-4-methoxy- (9CI) molecular structure lightbox
CAS RN: 67475-55-2

Benzenesulfonyl chloride, 3-fluoro-4-methoxy- (9CI)

  • Product code: SSC-177150
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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: 10g
  • Available purity: ＞97%
  • 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 67475-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

67475-55-2 / 3-fluoro-4-methoxybenzenesulfonyl chloride

Standard CAS: 67475-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67475-55-2
Multi CAS
No
Molecular Formula
C7H6CLFO3S
Molecular Weight
224.640000
Exact Mass
223.971021
InChI
InChI=1S/C7H6ClFO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,1H3
InChIKey
QIVDOYCKCLEKPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.99
TPSA
43.37

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
2
Consensus LogP
1.77
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.84

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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