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, 500g, 1000g
- Available purity: >98%
- 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 | >98% | 4 In Stock | Beijing | Inquiry |
| 1g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | >98% | 0 Out of Stock | Shanghai | Inquiry |
3847-58-3 / 2-chloro-1,3-difluoro-4-nitrobenzene
Basic Information
CAS
3847-58-3
Multi CAS
Yes
Molecular Formula
C6H2CLF2NO2
Molecular Weight
193.530000
Exact Mass
192.974212
InChI
InChI=1S/C6H2ClF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
InChIKey
CTVBVNKEMCGZDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.02
TPSA
43.14
LogP / Solubility
WLOGP
2.53
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
