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CAS 50803-23-1 4-BROMO-3-CHLOROSULFONYL-BENZOIC ACID molecular structure lightbox
CAS RN: 50803-23-1

4-BROMO-3-CHLOROSULFONYL-BENZOIC ACID

  • Product code: SSC-157546
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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: 5g
  • 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 50803-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

50803-23-1 / 4-bromo-3-chlorosulfonylbenzoic acid

Standard CAS: 50803-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50803-23-1
Multi CAS
No
Molecular Formula
C7H4BRCLO4S
Molecular Weight
299.530000
Exact Mass
297.870220
InChI
InChI=1S/C7H4BrClO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)
InChIKey
MDITWYHGSGANSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.14
TPSA
71.44

LogP / Solubility

WLOGP
2.07
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-3.07

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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