![CAS 1160823-81-3 “2‐ethylhexyl 4,6‐dibroMothieno[3,4‐b]thiophene‐2‐carboxylate” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160823-81-3.gif)
CAS RN: 1160823-81-3
“2‐ethylhexyl 4,6‐dibroMothieno[3,4‐b]thiophene‐2‐carboxylate”
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250626 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-016212
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
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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1160823-81-3 / 2-ethylhexyl 4,6-dibromothieno[2,3-c]thiophene-2-carboxylate
2-ethylhexyl 4,6-dibromothieno[3,4-b]thiophene-2-carboxylate | b]thiophene-2- | dibroMothieno[3,4-
Basic Information
CAS
1160823-81-3
Multi CAS
No
Molecular Formula
C15H18Br2O2S2
Molecular Weight
454.200000
Exact Mass
453.909450
SMILES
CCCCC(CC)COC(=O)C1=CC2=C(SC(=C2S1)Br)Br
InChI
InChI=1S/C15H18Br2O2S2/c1-3-5-6-9(4-2)8-19-15(18)11-7-10-12(20-11)14(17)21-13(10)16/h7,9H,3-6,8H2,1-2H3
InChIKey
MNCFWGMXRWYWMN-UHFFFAOYSA-N
Synonyms
2-ethylhexyl 4,6-dibromothieno[3,4-b]thiophene-2-carboxylate
b]thiophene-2-
dibroMothieno[3,4-
2-ethylhexyl 4,6-
dibroMothieno[3,4(c)\
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
8
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
98.69
TPSA
26.3
LogP / Solubility
WLOGP
6.86
MLOGP
6.07
XLogP3
8
Consensus LogP
6.98
Log S (ESOL)
-6.8
Class (ESOL)
Insoluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.15
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
Yes
Log Kp (skin permeation)
-0.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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