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CAS 38401-70-6 5-(4-BROMOPHENYL)THIOPHENE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 38401-70-6

5-(4-BROMOPHENYL)THIOPHENE-2-CARBALDEHYDE

  • Product code: SSC-146040
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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 38401-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

38401-70-6 / 5-(4-bromophenyl)thiophene-2-carbaldehyde

Standard CAS: 38401-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38401-70-6
Multi CAS
No
Molecular Formula
C11H7BROS
Molecular Weight
267.140000
Exact Mass
265.940100
InChI
InChI=1S/C11H7BrOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey
HKRFAVKXDXDKBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.84
TPSA
17.07

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
3.8
Consensus LogP
3.77
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52

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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