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CAS 148256-63-7 2,5-Dibromo-3-dodecylthiophene molecular structure lightbox
CAS RN: 148256-63-7

2,5-Dibromo-3-dodecylthiophene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 100g In stock Inquiry
Batchno.20260405 1g In stock Inquiry
Batchno.20250219 25g In stock Inquiry
Batchno.20260415 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-058626
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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: ≥97%
  • 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 148256-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

148256-63-7 / 2,5-dibromo-3-dodecylthiophene

Standard CAS: 148256-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148256-63-7
Multi CAS
No
Molecular Formula
C16H26Br2S
Molecular Weight
410.300000
Exact Mass
410.010150
SMILES
CCCCCCCCCCCCC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C16H26Br2S/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h13H,2-12H2,1H3
InChIKey
ZIZGNWAMVWNAJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
95.27
TPSA
28.2000

LogP / Solubility

WLOGP
7.74
MLOGP
6.83
XLogP3
9.9
Consensus LogP
8.16
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.27

Drug-likeness / Medicinal Chemistry

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

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