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 | Beijing | Inquiry |
2360579-34-4 / 7-bromo-1-chlorodibenzofuran
Basic Information
CAS
2360579-34-4
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)Br)C(=C1)Cl
InChI
InChI=1S/C12H6BrClO/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H
InChIKey
QWTDLAXBXQFSGC-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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