CAS RN: 105125-00-6
3′-Bromo-2,2′:5′,2”-terthiophene
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-006863
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: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
105125-00-6 / 3-bromo-2,5-dithiophen-2-ylthiophene
DTXSID10909353 | 2~3~-Bromo-1~2~,2~2~:2~5~,3~2~-terthiophene | RefChem:1065376
Basic Information
CAS
105125-00-6
Multi CAS
Yes
Molecular Formula
C12H7BrS3
Molecular Weight
327.300000
Exact Mass
325.889330
SMILES
C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)Br
InChI
InChI=1S/C12H7BrS3/c13-8-7-11(9-3-1-5-14-9)16-12(8)10-4-2-6-15-10/h1-7H
InChIKey
FGBHDLKMGUOJBA-UHFFFAOYSA-N
Synonyms
DTXSID10909353
2~3~-Bromo-1~2~,2~2~:2~5~,3~2~-terthiophene
RefChem:1065376
DTXCID601338416
3'-bromo-2,2':5',2''-terthiophene
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
78.65
TPSA
84.7000
LogP / Solubility
WLOGP
5.97
MLOGP
5.27
XLogP3
5
Consensus LogP
5.41
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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