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CAS 207974-14-9 4-Bromo-2,5-difluorobenzenesulfonyl Chloride molecular structure lightbox
CAS RN: 207974-14-9

4-Bromo-2,5-difluorobenzenesulfonyl Chloride

  • Product code: SSC-097833
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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 207974-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

207974-14-9 / 4-bromo-2,5-difluorobenzenesulfonyl chloride

Standard CAS: 207974-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207974-14-9
Multi CAS
No
Molecular Formula
C6H2BrClF2O2S
Molecular Weight
291.500000
Exact Mass
289.861550
SMILES
C1=C(C(=CC(=C1S(=O)(=O)Cl)F)Br)F
InChI
InChI=1S/C6H2BrClF2O2S/c7-3-1-5(10)6(2-4(3)9)13(8,11)12/h1-2H
InChIKey
SBMKFWMFNIEPDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.1
TPSA
34.14

LogP / Solubility

WLOGP
2.65
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.61

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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