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CAS 59256-24-5 3-(4-BROMO-BENZENESULFONYLAMINO)-BENZOIC ACID molecular structure lightbox
CAS RN: 59256-24-5

3-(4-BROMO-BENZENESULFONYLAMINO)-BENZOIC ACID

  • Product code: SSC-167678
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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 59256-24-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

59256-24-5 / 3-[(4-bromophenyl)sulfonylamino]benzoic acid

Standard CAS: 59256-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59256-24-5
Multi CAS
No
Molecular Formula
BC13H10O4RnS
Molecular Weight
356.190000
Exact Mass
354.951390
InChI
InChI=1S/C13H10BrNO4S/c14-10-4-6-12(7-5-10)20(18,19)15-11-3-1-2-9(8-11)13(16)17/h1-8,15H,(H,16,17)
InChIKey
BUTBMLDLLOBSFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.35
TPSA
83.47

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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