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: 10g, 0.1g, 0.25g, 1g, 5g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
947188-01-4 / 1-bromo-2-(4-chlorophenoxy)benzene
Basic Information
CAS
947188-01-4
Multi CAS
No
Molecular Formula
C12H8BRCLO
Molecular Weight
283.550000
Exact Mass
281.944710
InChI
InChI=1S/C12H8BrClO/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H
InChIKey
MJPDFJDOHHLMBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
65.67
TPSA
9.23
LogP / Solubility
WLOGP
4.89
MLOGP
4.32
XLogP3
5
Consensus LogP
4.74
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
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)
-0.97
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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