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CAS RN: 1401068-25-4
2-bromo-4-iodo-dibenzofuran
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260519 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1401068-25-4
- Purity/Analytical Methods: >99.0%
1401068-25-4 / 2-bromo-4-iododibenzofuran
Basic Information
CAS
1401068-25-4
Multi CAS
No
Molecular Formula
C12H6BrIO
Molecular Weight
372.980000
Exact Mass
371.864670
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC(=C3)Br)I
InChI
InChI=1S/C12H6BrIO/c13-7-5-9-8-3-1-2-4-11(8)15-12(9)10(14)6-7/h1-6H
InChIKey
XFUQQJVGELKGMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
74.14
TPSA
13.14
LogP / Solubility
WLOGP
4.95
MLOGP
4.38
XLogP3
5
Consensus LogP
4.78
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
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)
-1.48
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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