Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
26608-06-0 / 3-bromodibenzofuran
Basic Information
CAS
26608-06-0
Multi CAS
No
Molecular Formula
C12H7BrO
Molecular Weight
247.090000
Exact Mass
245.968030
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)Br
InChI
InChI=1S/C12H7BrO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
InChIKey
AZFABGHLDGJASW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
61.42
TPSA
13.14
LogP / Solubility
WLOGP
4.35
MLOGP
3.83
XLogP3
4.8
Consensus LogP
4.33
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic Acid
- CAS RN: 123654-26-2
- Product Code: SSC-027403
