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CAS 885532-56-9 3-BROMO-5-CHLORO-2-METHOXYBENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 885532-56-9

3-BROMO-5-CHLORO-2-METHOXYBENZENESULFONYL CHLORIDE

  • Product code: SSC-199647
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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 885532-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

885532-56-9 / 3-bromo-5-chloro-2-methoxybenzenesulfonyl chloride

Standard CAS: 885532-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885532-56-9
Multi CAS
No
Molecular Formula
C7H5BRCL2O3S
Molecular Weight
319.990000
Exact Mass
317.851980
InChI
InChI=1S/C7H5BrCl2O3S/c1-13-7-5(8)2-4(9)3-6(7)14(10,11)12/h2-3H,1H3
InChIKey
WFEMSAFZOIOVAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.74
TPSA
43.37

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

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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