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: 1g, 0.1g, 0.25g, 25g, 10g, 5g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
6668-56-0 / 4-fluoro-3-nitrobenzenesulfonyl chloride
Basic Information
CAS
6668-56-0
Multi CAS
No
Molecular Formula
C6H3CLFNO4S
Molecular Weight
239.610000
Exact Mass
238.945535
InChI
InChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey
RRONENSZKCGROA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
46.09
TPSA
77.28
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.9
Consensus LogP
1.68
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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