![CAS 2088537-45-3 4-(3-bromophenyl)-6-phenyldibenzo[b,d]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2088537-45-3.png)
CAS RN: 2088537-45-3
4-(3-bromophenyl)-6-phenyldibenzo[b,d]furan
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-098149
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 | Shanghai | Inquiry |
2088537-45-3 / 4-(3-bromophenyl)-6-phenyldibenzofuran
Basic Information
CAS
2088537-45-3
Multi CAS
No
Molecular Formula
C24H15BrO
Molecular Weight
399.300000
Exact Mass
398.030630
SMILES
C1=CC=C(C=C1)C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC(=CC=C5)Br
InChI
InChI=1S/C24H15BrO/c25-18-10-4-9-17(15-18)20-12-6-14-22-21-13-5-11-19(23(21)26-24(20)22)16-7-2-1-3-8-16/h1-15H
InChIKey
QSUPTHBRZMHSGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
112.29
TPSA
13.14
LogP / Solubility
WLOGP
7.68
MLOGP
6.78
XLogP3
7.6
Consensus LogP
7.35
Log S (ESOL)
-7.74
Class (ESOL)
Insoluble
Log S (Ali)
-8.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.87
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)
0.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 2088771-61-1 (R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2088771-61-1.png)
