CAS RN: 2173555-52-5
Dibenzofuran, 1-bromo-7-chloro-
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.20251128 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2173555-52-5
- Purity/Analytical Methods: >99.0%
2173555-52-5 / 1-bromo-7-chlorodibenzofuran
Basic Information
CAS
2173555-52-5
Multi CAS
No
Molecular Formula
C12H6BrClO
Molecular Weight
281.530000
Exact Mass
279.929060
SMILES
C1=CC2=C(C3=C(O2)C=C(C=C3)Cl)C(=C1)Br
InChI
InChI=1S/C12H6BrClO/c13-9-2-1-3-10-12(9)8-5-4-7(14)6-11(8)15-10/h1-6H
InChIKey
WXKGFVXGRJHAML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
66.43
TPSA
13.14
LogP / Solubility
WLOGP
5
MLOGP
4.41
XLogP3
5
Consensus LogP
4.8
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89
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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