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CAS 1677-47-0 4,5-DICHLORO-1H-INDOLE-2,3-DIONE molecular structure lightbox
CAS RN: 1677-47-0

4,5-DICHLORO-1H-INDOLE-2,3-DIONE

  • Product code: SSC-073148
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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: 1g, 10g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1677-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1677-47-0 / 4,5-dichloro-1H-indole-2,3-dione

Standard CAS: 1677-47-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1677-47-0
Multi CAS
No
Molecular Formula
C8H3Cl2NO2
Molecular Weight
216.020000
Exact Mass
214.954084
SMILES
C1=CC(=C(C2=C1NC(=O)C2=O)Cl)Cl
InChI
InChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
InChIKey
WWSWHYAXEFLETD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.42
TPSA
46.17

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.53

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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