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CAS 88617-67-8 N-(4,5-Dibromo-2-([(4-methylphenyl)sulfonyl]amino)phenyl)-4-methylbenzenesulfonamide molecular structure lightbox
CAS RN: 88617-67-8

N-(4,5-Dibromo-2-([(4-methylphenyl)sulfonyl]amino)phenyl)-4-methylbenzenesulfonamide

  • Product code: SSC-199779
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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 88617-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

88617-67-8 / N-[4,5-dibromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide

Standard CAS: 88617-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88617-67-8
Multi CAS
No
Molecular Formula
C20H18BR2N2O4S2
Molecular Weight
574.300000
Exact Mass
573.905430
InChI
InChI=1S/C20H18Br2N2O4S2/c1-13-3-7-15(8-4-13)29(25,26)23-19-11-17(21)18(22)12-20(19)24-30(27,28)16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3
InChIKey
HQTDELJACHUANE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.82
TPSA
92.34

LogP / Solubility

WLOGP
5.43
MLOGP
4.82
XLogP3
5.1
Consensus LogP
5.12
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
2.5

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