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CAS 944-33-2 4-(2-BROMO-ACETYL)-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 944-33-2

4-(2-BROMO-ACETYL)-BENZENESULFONAMIDE

  • Product code: SSC-209182
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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 944-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

944-33-2 / 4-(2-bromoacetyl)benzenesulfonamide

Standard CAS: 944-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944-33-2
Multi CAS
No
Molecular Formula
BC8H8O3RnS
Molecular Weight
278.130000
Exact Mass
276.940830
InChI
InChI=1S/C8H8BrNO3S/c9-5-8(11)6-1-3-7(4-2-6)14(10,12)13/h1-4H,5H2,(H2,10,12,13)
InChIKey
CYXRPWCLRVINRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.94
TPSA
77.23

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-3.77

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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