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CAS 144012-09-9 2-Bromo-3-decylthiophene molecular structure lightbox
CAS RN: 144012-09-9

2-Bromo-3-decylthiophene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 100g In stock Inquiry
Batchno.20250924 1g In stock Inquiry
Batchno.20250528 25g In stock Inquiry
Batchno.20250918 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-055281
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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 144012-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

144012-09-9 / 2-bromo-3-decylthiophene

Standard CAS: 144012-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144012-09-9
Multi CAS
No
Molecular Formula
C14H23BrS
Molecular Weight
303.300000
Exact Mass
302.070380
SMILES
CCCCCCCCCCC1=C(SC=C1)Br
InChI
InChI=1S/C14H23BrS/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h11-12H,2-10H2,1H3
InChIKey
YCWPDFSNGOICAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
78.33
TPSA
28.2000

LogP / Solubility

WLOGP
6.19
MLOGP
5.46
XLogP3
7.8
Consensus LogP
6.48
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
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)
-0.17

Drug-likeness / Medicinal Chemistry

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

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