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, 5g, 25g, 10g, 100g
- Available purity: >97%
- 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 | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Shanghai | Inquiry |
| 100g | >97% | 1 In Stock | Shenzhen | Inquiry |
85342-65-0 / 4,5,6,7-tetrachloro-2-hydroxyisoindole-1,3-dione
Basic Information
CAS
85342-65-0
Multi CAS
Yes
Molecular Formula
C8HCL4NO3
Molecular Weight
300.900000
Exact Mass
300.868104
InChI
InChI=1S/C8HCl4NO3/c9-3-1-2(4(10)6(12)5(3)11)8(15)13(16)7(1)14/h16H
InChIKey
UTRBHXSKVVPTLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.77
TPSA
57.61
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
2.9
Consensus LogP
3.03
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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