CAS RN: 1293389-31-7
5,6-difluoro-4,7-bis-(5-bromo-4-(2-ethylhexyl)-2-thienyl)-2,1,3-benzothiadiazole
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.20250723 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-036418
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 |
1293389-31-7 / 4,7-bis[5-bromo-4-(2-ethylhexyl)thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole
Basic Information
CAS
1293389-31-7
Multi CAS
No
Molecular Formula
C30H36Br2F2N2S3
Molecular Weight
718.600000
Exact Mass
718.035490
SMILES
CCCCC(CC)CC1=C(SC(=C1)C2=C(C(=C(C3=NSN=C23)C4=CC(=C(S4)Br)CC(CC)CCCC)F)F)Br
InChI
InChI=1S/C30H36Br2F2N2S3/c1-5-9-11-17(7-3)13-19-15-21(37-29(19)31)23-25(33)26(34)24(28-27(23)35-39-36-28)22-16-20(30(32)38-22)14-18(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3
InChIKey
FOYFULWMSKDEJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
19
Fraction Csp3
0.53
Rotatable bonds
14
H-bond acceptors
5
Molar refractivity
173.38
TPSA
25.78
LogP / Solubility
WLOGP
12.47
MLOGP
11.04
XLogP3
14.2
Consensus LogP
12.57
Log S (ESOL)
-11.59
Class (ESOL)
Insoluble
Log S (Ali)
-14.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.75
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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