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CAS 81597-53-7 5-BroMo-thiophene-2-sulfonic acid ethylaMide molecular structure lightbox
CAS RN: 81597-53-7

5-BroMo-thiophene-2-sulfonic acid ethylaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250704 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-189999
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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: 0.25g
  • 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 81597-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

81597-53-7 / 5-bromo-N-ethylthiophene-2-sulfonamide

Standard CAS: 81597-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81597-53-7
Multi CAS
No
Molecular Formula
BC6H8O2RnS2
Molecular Weight
270.200000
Exact Mass
268.917980
InChI
InChI=1S/C6H8BrNO2S2/c1-2-8-12(9,10)6-4-3-5(7)11-6/h3-4,8H,2H2,1H3
InChIKey
WJJJCUWEUWPHDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.88
TPSA
46.17

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
2.3
Consensus LogP
1.9
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-3.08

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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