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: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 96129-73-6
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
≥95% |
5
In Stock
|
Beijing |
Inquiry |
| 0.25g |
≥95% |
5
In Stock
|
Shenzhen |
Inquiry |
| 1g |
≥95% |
4
In Stock
|
Shenzhen |
Inquiry |
| 5g |
≥95% |
1
In Stock
|
Hong Kong |
Inquiry |
96129-73-6 / 4,7-dichloro-1H-indole
Standard CAS: 96129-73-6
Multi CAS: Yes
Basic Information
CAS
96129-73-6
Multi CAS
Yes
Molecular Formula
C8H5CL2N
Molecular Weight
186.030000
Exact Mass
184.979905
InChI
InChI=1S/C8H5Cl2N/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
InChIKey
WYCCABIEVMZKJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
48.32
TPSA
15.79
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
3.3
Consensus LogP
3.28
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5