![CAS 1237479-38-7 2-Ethylhexyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1040-jpgcontextbwfzdgvyfhjvb3r8mjgzodj8aw1hz2uvanblz3xommqvagqwlzg5mza1ndaxmjyymzgvrtewndauanbnfgu5owmyoti0zgqzmjk1nda2ymyzywyxndizmjnjotaymgfjnjzmnte3mgfizti2ztmyy2myztzjotkymzhjzwi.jpeg)
CAS RN: 1237479-38-7
2-Ethylhexyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 100mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20260323 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250803 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250529 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250303 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-027449
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 | Shanghai | Inquiry |
1237479-38-7 / 2-ethylhexyl 4,6-dibromo-3-fluorothieno[2,3-c]thiophene-2-carboxylate
Basic Information
CAS
1237479-38-7
Multi CAS
No
Molecular Formula
C15H17Br2FO2S2
Molecular Weight
472.200000
Exact Mass
471.900030
SMILES
CCCCC(CC)COC(=O)C1=C(C2=C(SC(=C2S1)Br)Br)F
InChI
InChI=1S/C15H17Br2FO2S2/c1-3-5-6-8(4-2)7-20-15(19)12-10(18)9-11(21-12)14(17)22-13(9)16/h8H,3-7H2,1-2H3
InChIKey
SOEJTOAKIMQIGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
8
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
98.65
TPSA
26.3
LogP / Solubility
WLOGP
7
MLOGP
6.19
XLogP3
8.1
Consensus LogP
7.1
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
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)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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