![CAS 1262727-09-2 4,9-Dibromo-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262727-09-2.gif)
CAS RN: 1262727-09-2
4,9-Dibromo-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
- Product code: SSC-033232
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 |
1262727-09-2 / 4,9-dibromo-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
Basic Information
CAS
1262727-09-2
Multi CAS
No
Molecular Formula
C20H10Br2N4S
Molecular Weight
498.200000
Exact Mass
497.897240
SMILES
C1=CC=C(C=C1)C2=NC3=C(C4=NSN=C4C(=C3N=C2C5=CC=CC=C5)Br)Br
InChI
InChI=1S/C20H10Br2N4S/c21-13-17-18(14(22)20-19(13)25-27-26-20)24-16(12-9-5-2-6-10-12)15(23-17)11-7-3-1-4-8-11/h1-10H
InChIKey
DAUQYSOWAULYBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
116.78
TPSA
51.56
LogP / Solubility
WLOGP
6.49
MLOGP
5.75
XLogP3
5.8
Consensus LogP
6.01
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-8.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
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)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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