![CAS 1438391-33-3 4-bromo-6-tert-butyldibenzo[b,d]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1438391-33-3.gif)
CAS RN: 1438391-33-3
4-bromo-6-tert-butyldibenzo[b,d]furan
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.20250301 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260523 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260529 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250725 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250508 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS1438391-33-3
- Purity/Analytical Methods: >99.0%
1438391-33-3 / 4-bromo-6-tert-butyldibenzofuran
Basic Information
CAS
1438391-33-3
Multi CAS
No
Molecular Formula
C16H15BrO
Molecular Weight
303.190000
Exact Mass
302.030630
SMILES
CC(C)(C)C1=CC=CC2=C1OC3=C2C=CC=C3Br
InChI
InChI=1S/C16H15BrO/c1-16(2,3)12-8-4-6-10-11-7-5-9-13(17)15(11)18-14(10)12/h4-9H,1-3H3
InChIKey
RGBGTPGFTMYLTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
80.12
TPSA
13.14
LogP / Solubility
WLOGP
5.65
MLOGP
4.98
XLogP3
6
Consensus LogP
5.54
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.32
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)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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