![CAS 1242077-24-2 2,6-Dibromobenzo[1,2-b:5,4-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5923-jpgcontextbwfzdgvyfhjvb3r8mtuzodr8aw1hz2uvanblz3xoodkvadbhlzkymdy0odqxndawnjivrdu5mjmuanbnfgy4mme2ztiwogrhogu5otcyytcyytcwowvjymq3nduyztkxmtk4yzk3mdhmn2njngq0mgezzdvhztqynjrmzdk.jpeg)
CAS RN: 1242077-24-2
2,6-Dibromobenzo[1,2-b:5,4-b’]dithiophene
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.20260321 | 100mg | In stock | Shanghai | Inquiry |
- Product code: ICTD5923
- Purity/Analytical Methods: >98.0%(GC)
1242077-24-2 / 2,6-dibromothieno[3,2-f][1]benzothiole
Basic Information
CAS
1242077-24-2
Multi CAS
No
Molecular Formula
C10H4Br2S2
Molecular Weight
348.100000
Exact Mass
347.810070
SMILES
C1=C2C=C(SC2=CC3=C1C=C(S3)Br)Br
InChI
InChI=1S/C10H4Br2S2/c11-9-2-5-1-6-3-10(12)14-8(6)4-7(5)13-9/h1-4H
InChIKey
PZJRHIYHVCHULC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
72.61
TPSA
56.5000
LogP / Solubility
WLOGP
5.64
MLOGP
4.98
XLogP3
6
Consensus LogP
5.54
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
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
No
Log Kp (skin permeation)
-0.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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