CAS RN: 1034352-30-1
2-Bromo-3-(2-ethylhexyl)-5-iodothiophene (stabilized with Copper chip)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250411 | 200mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-004967
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 | Beijing | Inquiry |
1034352-30-1 / 2-bromo-3-(2-ethylhexyl)-5-iodothiophene
2-bromo-3-(2-ethylhexyl)-5-iodothiophene | 2-Bromo-3-(2-ethylhexyl)-5-iodothiophene (stabilized with Copper chip) | MFCD28384136
Basic Information
CAS
1034352-30-1
Multi CAS
No
Molecular Formula
C12H18BrIS
Molecular Weight
401.150000
Exact Mass
399.935730
SMILES
CCCCC(CC)CC1=C(SC(=C1)I)Br
InChI
InChI=1S/C12H18BrIS/c1-3-5-6-9(4-2)7-10-8-11(14)15-12(10)13/h8-9H,3-7H2,1-2H3
InChIKey
VHAVRRSIFMAOTI-UHFFFAOYSA-N
Synonyms
2-bromo-3-(2-ethylhexyl)-5-iodothiophene
2-Bromo-3-(2-ethylhexyl)-5-iodothiophene (stabilized with Copper chip)
MFCD28384136
SCHEMBL13724159
SY055722
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
81.75
TPSA
28.2000
LogP / Solubility
WLOGP
5.87
MLOGP
5.19
XLogP3
7.1
Consensus LogP
6.05
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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)
-1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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