CAS RN: 2179279-99-1
Dibenzofuran, 6-bromo-2-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.20260107 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2179279-99-1
- Purity/Analytical Methods: >99.0%
2179279-99-1 / 6-bromo-2-chlorodibenzofuran
Basic Information
CAS
2179279-99-1
Multi CAS
No
Molecular Formula
C12H6BrClO
Molecular Weight
281.530000
Exact Mass
279.929060
SMILES
C1=CC2=C(C(=C1)Br)OC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C12H6BrClO/c13-10-3-1-2-8-9-6-7(14)4-5-11(9)15-12(8)10/h1-6H
InChIKey
ANJKWKBXTYYTCY-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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