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CAS 78031-18-2 3-BROMOTHIOPHENE-2-CARBOXAMIDE molecular structure lightbox
CAS RN: 78031-18-2

3-BROMOTHIOPHENE-2-CARBOXAMIDE

  • Product code: SSC-187574
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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: 5g
  • 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 78031-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

78031-18-2 / 3-bromothiophene-2-carboxamide

Standard CAS: 78031-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78031-18-2
Multi CAS
No
Molecular Formula
BC5H4ORnS
Molecular Weight
206.060000
Exact Mass
204.919700
InChI
InChI=1S/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8)
InChIKey
KWXUWNXTRUZHNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.54
TPSA
43.09

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.83

Drug-likeness / Medicinal Chemistry

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

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