![CAS 1233872-22-4 4,9-dibromo-6,7-bis(4-(octyloxy)phenyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233872-22-4.gif)
CAS RN: 1233872-22-4
4,9-dibromo-6,7-bis(4-(octyloxy)phenyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
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.20251003 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-027079
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 | Shenzhen | Inquiry |
1233872-22-4 / 4,9-dibromo-6,7-bis(4-octoxyphenyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
Basic Information
CAS
1233872-22-4
Multi CAS
No
Molecular Formula
C36H42Br2N4O2S
Molecular Weight
754.600000
Exact Mass
754.137470
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NC3=C(C4=NSN=C4C(=C3N=C2C5=CC=C(C=C5)OCCCCCCCC)Br)Br
InChI
InChI=1S/C36H42Br2N4O2S/c1-3-5-7-9-11-13-23-43-27-19-15-25(16-20-27)31-32(26-17-21-28(22-18-26)44-24-14-12-10-8-6-4-2)40-34-30(38)36-35(41-45-42-36)29(37)33(34)39-31/h15-22H,3-14,23-24H2,1-2H3
InChIKey
OHTQRSAHBLLZBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
25
Fraction Csp3
0.44
Rotatable bonds
18
H-bond acceptors
7
Molar refractivity
194.52
TPSA
70.02
LogP / Solubility
WLOGP
11.97
MLOGP
10.6
XLogP3
12.6
Consensus LogP
11.72
Log S (ESOL)
-11.28
Class (ESOL)
Insoluble
Log S (Ali)
-14.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.66
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)
1.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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