![CAS 1228595-79-6 3,7-Dibromo-5,5-dimethyl-5H-dibenzo[b,d]silole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228595-79-6.gif)
CAS RN: 1228595-79-6
3,7-Dibromo-5,5-dimethyl-5H-dibenzo[b,d]silole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251001 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250909 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250215 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260325 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250324 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1228595-79-6
- Purity/Analytical Methods: >99.0%
1228595-79-6 / 3,7-dibromo-5,5-dimethylbenzo[b][1]benzosilole
Basic Information
CAS
1228595-79-6
Multi CAS
No
Molecular Formula
C14H12Br2Si
Molecular Weight
368.140000
Exact Mass
367.905450
SMILES
C[Si]1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)C
InChI
InChI=1S/C14H12Br2Si/c1-17(2)13-7-9(15)3-5-11(13)12-6-4-10(16)8-14(12)17/h3-8H,1-2H3
InChIKey
FAJDSWHVALMLLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Molar refractivity
84.03
TPSA
0.0000
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
4.01
Consensus LogP
3.86
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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