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 |
302912-44-3 / 2,5-dibromo-3-cyclohexylthiophene
Basic Information
CAS
302912-44-3
Multi CAS
No
Molecular Formula
C10H12BR2S
Molecular Weight
324.080000
Exact Mass
323.900600
InChI
InChI=1S/C10H12Br2S/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey
GQDHHQWPBULMEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
65.55
TPSA
28.2000
LogP / Solubility
WLOGP
5.32
MLOGP
4.7
XLogP3
6.2
Consensus LogP
5.41
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
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)