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CAS 286932-39-6 5-Bromo-N-tert-butyl-2-thiophenesulfonamide molecular structure lightbox
CAS RN: 286932-39-6

5-Bromo-N-tert-butyl-2-thiophenesulfonamide

  • Product code: SSC-130282
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 286932-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

286932-39-6 / 5-bromo-N-tert-butylthiophene-2-sulfonamide

Standard CAS: 286932-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286932-39-6
Multi CAS
No
Molecular Formula
C8H12BrNO2S2
Molecular Weight
298.200000
Exact Mass
296.949280
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(S1)Br
InChI
InChI=1S/C8H12BrNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
InChIKey
KWUYZYHIQKPORJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.09
TPSA
46.17

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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