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CAS 24974-74-1 2-BROMOBENZYLSULFONYL CHLORIDE molecular structure lightbox
CAS RN: 24974-74-1

2-BROMOBENZYLSULFONYL CHLORIDE

  • Product code: SSC-120335
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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 24974-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

24974-74-1 / (2-bromophenyl)methanesulfonyl chloride

Standard CAS: 24974-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24974-74-1
Multi CAS
No
Molecular Formula
C7H6BrClO2S
Molecular Weight
269.540000
Exact Mass
267.896040
SMILES
C1=CC=C(C(=C1)CS(=O)(=O)Cl)Br
InChI
InChI=1S/C7H6BrClO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
InChIKey
RDRCWHIGMBAULL-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
52.62
TPSA
34.14

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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