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CAS 30153-47-0 4-BROMO-3-METHYLTHIOPHENE-2-CARBOXADEHYDE molecular structure lightbox
CAS RN: 30153-47-0

4-BROMO-3-METHYLTHIOPHENE-2-CARBOXADEHYDE

  • Product code: SSC-133846
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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 30153-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

30153-47-0 / 4-bromo-3-methylthiophene-2-carbaldehyde

Standard CAS: 30153-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30153-47-0
Multi CAS
No
Molecular Formula
C6H5BROS
Molecular Weight
205.070000
Exact Mass
203.924450
InChI
InChI=1S/C6H5BrOS/c1-4-5(7)3-9-6(4)2-8/h2-3H,1H3
InChIKey
CNQKPFYSSHUZHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.14
TPSA
17.07

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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