![CAS 1415844-67-5 4-bromo-6-phenyldibenzo[b,d]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415844-67-5.gif)
CAS RN: 1415844-67-5
4-bromo-6-phenyldibenzo[b,d]thiophene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-051950
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1415844-67-5 / 4-bromo-6-phenyldibenzothiophene
Basic Information
CAS
1415844-67-5
Multi CAS
No
Molecular Formula
C18H11BrS
Molecular Weight
339.300000
Exact Mass
337.976480
SMILES
C1=CC=C(C=C1)C2=CC=CC3=C2SC4=C3C=CC=C4Br
InChI
InChI=1S/C18H11BrS/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12/h1-11H
InChIKey
LGGSHXHPRHARFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
92.47
TPSA
28.2000
LogP / Solubility
WLOGP
6.48
MLOGP
5.72
XLogP3
6.6
Consensus LogP
6.27
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
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)
-0.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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