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, 0.25g, 1g, 0.1g, 5g
- Available purity: >98%
- Inventory rows with stock: 10
- 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 | >98% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 4 In Stock | Shanghai | Inquiry |
| 1g | >98% | 4 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | >98% | 3 In Stock | Beijing | Inquiry |
| 0.25g | -- | 3 In Stock | Shenzhen | Inquiry |
| 1g | -- | 3 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 3 In Stock | Beijing | Inquiry |
| 0.1g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
455-31-2 / difluoromethylbenzene
Basic Information
CAS
455-31-2
Multi CAS
No
Molecular Formula
C7F2H6
Molecular Weight
128.120000
Exact Mass
128.043757
InChI
InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
JDZLOJYSBBLXQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.4
TPSA
0.0000
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
