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CAS 1128-47-8 6-Methyl-1H-indole-2,3-dione molecular structure lightbox
CAS RN: 1128-47-8

6-Methyl-1H-indole-2,3-dione

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 100mg Out of stock 5-7 business days Inquiry
Batchno.20251109 1g In stock Shanghai, Shandong Inquiry
Batchno.20250525 250mg In stock Shandong Inquiry
Batchno.20250421 5g In stock Shandong, Hebei Inquiry
  • Product code: SSC-013092
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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
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1128-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1128-47-8 / 6-methyl-1H-indole-2,3-dione

6-methyl-1H-indole-2,3-dione | DTXSID20920897 | RefChem:1074052

Standard CAS: 1128-47-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1128-47-8
Multi CAS
No
Molecular Formula
C9H7NO2
Molecular Weight
161.160000
Exact Mass
161.047678
SMILES
CC1=CC2=C(C=C1)C(=O)C(=O)N2
InChI
InChI=1S/C9H7NO2/c1-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChIKey
VFJUMJDSHGVFAH-UHFFFAOYSA-N
Synonyms
6-methyl-1H-indole-2,3-dione DTXSID20920897 RefChem:1074052 DTXCID701349799 6-Methylisatin

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.14
TPSA
46.17

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
1.2
Consensus LogP
1.11
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.9

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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