CAS RN: 98057-08-0
5,5”-Dibromo-2,2′:5′,2”-terthiophene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-212524
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 |
98057-08-0 / 2,5-bis(5-bromothiophen-2-yl)thiophene
Basic Information
CAS
98057-08-0
Multi CAS
No
Molecular Formula
C12H6BR2S3
Molecular Weight
406.200000
Exact Mass
405.797790
InChI
InChI=1S/C12H6Br2S3/c13-11-5-3-9(16-11)7-1-2-8(15-7)10-4-6-12(14)17-10/h1-6H
InChIKey
KXFPYYJGYVYXIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
86.35
TPSA
84.7000
LogP / Solubility
WLOGP
6.73
MLOGP
5.95
XLogP3
6.4
Consensus LogP
6.36
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
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)
-0.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1346688-54-7 2,6-Dibromo-4-n-octyldithieno[3,2-b:2′,3′-d]pyrrole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2,6-Dibromo-4-n-octyldithieno[3,2-b:2′,3′-d]pyrrole
- CAS RN: 1346688-54-7
- Product Code: ICTD4714
- Purity/Analytical method: >94.0%(GC)
-
2,6-Dibromo-4,8-bis(2-ethylhexyloxy)benzo[1,2-b:4,5-b’]dithiophene
- CAS RN: 1226782-13-3
- Product Code: ICTD4524
- Purity/Analytical method: >97.0%(HPLC)
-
2,6-Dibromo-4,4-di-n-octyldithieno[3,2-b:2′,3′-d]silole
- CAS RN: 1160106-14-8
- Product Code: ICTD4799
- Purity/Analytical method: >98.0%(GC)
-
3,3”’-Dihexyl-2,2′:5′,2”:5”,2”’-quaterthiophene (contains 3% Dichloromethane at maximum)
- CAS RN: 132814-91-6
- Product Code: ICTD5492
- Purity/Analytical method: >95.0%(GC)
-
-
![CAS 1346688-54-7 2,6-Dibromo-4-n-octyldithieno[3,2-b:2′,3′-d]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4714-jpgcontextbwfzdgvyfhjvb3r8mzm3nzv8aw1hz2uvanblz3xozdcvagyxlzg5mzazmdq0ntg3odivrdq3mtquanbnfdi1mde3njczzmq0ota4ywy3zdgzyzeznzi2mmq5mtq3njg4yzm4ytrjmwezndiyymjiy2y5zgm4mwq1nzbiztq.jpeg)
![CAS 1226782-13-3 2,6-Dibromo-4,8-bis(2-ethylhexyloxy)benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4524-jpgcontextbwfzdgvyfhjvb3r8mzy3ntj8aw1hz2uvanblz3xozgevagvjlzg5mzayotqzmda3mdivrdq1mjquanbnfdu4zjvhytdkywy1otlmzja3odlindk4ndywnjnhmdg0zgi4yzvinjnhnme2oge1nzu1mduwm2m2otyyntdky2e.jpeg)
![CAS 1160106-14-8 2,6-Dibromo-4,4-di-n-octyldithieno[3,2-b:2′,3′-d]silole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4799-jpgcontextbwfzdgvyfhjvb3r8mzkwmzz8aw1hz2uvanblz3xoytyvage5lzg5mzazmdg5mtuymzavrdq3otkuanbnfgi3ogqxmmzkmji1nwzjmzy3zjizmzmyyzizytqzmwm0m2finguwnjy4ntmwzmiyowrmytblotk4yzk0ywnlmzg.jpeg)
![CAS 392662-65-6 3,6-Dibromothieno[3,2-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d3679-jpgcontextbwfzdgvyfhjvb3r8mzm4mdf8aw1hz2uvanblz3xondqvadlklzg5mzaymtyxode3otavrdm2nzkuanbnfdu5ntbkmwnmzju4ogi4ntkzyzy1ndlhzwu0ztbkyjjlzjlkzwuxndk3nwflmjiyyzq0zdbmzwi5mjhlmdq0zdc.jpeg)
