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CAS 122509-73-3 4,5-Dichloroindole molecular structure lightbox
CAS RN: 122509-73-3

4,5-Dichloroindole

  • Product code: SSC-025456
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 10
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122509-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g -- 3 In Stock Beijing Inquiry
1g >95% 3 In Stock Shanghai Inquiry
5g -- 3 In Stock Beijing Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
10g -- 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Shanghai Inquiry

122509-73-3 / 4,5-dichloro-1H-indole

Standard CAS: 122509-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122509-73-3
Multi CAS
No
Molecular Formula
C8H5Cl2N
Molecular Weight
186.030000
Exact Mass
184.979905
SMILES
C1=CC(=C(C2=C1NC=C2)Cl)Cl
InChI
InChI=1S/C8H5Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H
InChIKey
MUWQPYPTCAUUGM-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

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