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CAS 116569-07-4 1H-Indole-2,3-dione,7-hydroxy-(9CI) molecular structure lightbox
CAS RN: 116569-07-4

1H-Indole-2,3-dione,7-hydroxy-(9CI)

  • Product code: SSC-016535
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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, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 116569-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

116569-07-4 / 7-hydroxy-1H-indole-2,3-dione

7-Hydroxyisatin | 7-Hydroxyindoline-2,3-dione | 7-Hydroxy-1H-indole-2,3-dione

Standard CAS: 116569-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116569-07-4
Multi CAS
No
Molecular Formula
C8H5NO3
Molecular Weight
163.130000
Exact Mass
163.026943
SMILES
C1=CC2=C(C(=C1)O)NC(=O)C2=O
InChI
InChI=1S/C8H5NO3/c10-5-3-1-2-4-6(5)9-8(12)7(4)11/h1-3,10H,(H,9,11,12)
InChIKey
LZRMULBVRCNCPX-UHFFFAOYSA-N
Synonyms
7-Hydroxyisatin 7-Hydroxyindoline-2,3-dione 7-Hydroxy-1H-indole-2,3-dione MFCD17676664 1H-Indole-2,3-dione,7-hydroxy-(9CI)

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.07
TPSA
66.4

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.5
Consensus LogP
0.5
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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