CAS RN: 149703-84-4
2,5-Dibromo-3-n-octylthiophene
Product Availability
Choose a grade to view its available package options.
12 package records10 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-059661
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: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
149703-84-4 / 2,5-dibromo-3-octylthiophene
Basic Information
CAS
149703-84-4
Multi CAS
No
Molecular Formula
C12H18Br2S
Molecular Weight
354.150000
Exact Mass
353.947550
SMILES
CCCCCCCCC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C12H18Br2S/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h9H,2-8H2,1H3
InChIKey
PJGBSUPPENVFAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
76.8
TPSA
28.2000
LogP / Solubility
WLOGP
6.18
MLOGP
5.45
XLogP3
7.7
Consensus LogP
6.44
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
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)
-0.5
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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