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CAS 153561-74-1 2-Bromo-5-dodecylthiophene molecular structure lightbox
CAS RN: 153561-74-1

2-Bromo-5-dodecylthiophene

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 1g In stock Inquiry
Batchno.20251120 250mg In stock Inquiry
Batchno.20251008 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250215 200mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-062986
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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 153561-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

153561-74-1 / 2-bromo-5-dodecylthiophene

Standard CAS: 153561-74-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153561-74-1
Multi CAS
No
Molecular Formula
C16H27BrS
Molecular Weight
331.400000
Exact Mass
330.101680
SMILES
CCCCCCCCCCCCC1=CC=C(S1)Br
InChI
InChI=1S/C16H27BrS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h13-14H,2-12H2,1H3
InChIKey
MOSAVYMGWTYDNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
87.57
TPSA
28.2000

LogP / Solubility

WLOGP
6.97
MLOGP
6.15
XLogP3
8.7
Consensus LogP
7.27
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
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
No
Log Kp (skin permeation)
0.21

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

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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