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, 25g, 5g, 100g, 500g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 4 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
2105-94-4 / 4-bromo-2-fluorophenol
Basic Information
CAS
2105-94-4
Multi CAS
No
Molecular Formula
C6H4BrFO
Molecular Weight
191.000000
Exact Mass
189.942960
SMILES
C1=CC(=C(C=C1Br)F)O
InChI
InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
RYVOZMPTISNBDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.76
TPSA
20.23
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.6
Consensus LogP
2.3
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
