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CAS 61394-92-1 2,3-dihydro-2,3-dioxo-1H-Indole-5-carbonitrile molecular structure lightbox
CAS RN: 61394-92-1

2,3-dihydro-2,3-dioxo-1H-Indole-5-carbonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-170248
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61394-92-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

61394-92-1 / 2,3-dioxo-1H-indole-5-carbonitrile

Standard CAS: 61394-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61394-92-1
Multi CAS
No
Molecular Formula
C9H4N2O2
Molecular Weight
172.140000
Exact Mass
172.027277
InChI
InChI=1S/C9H4N2O2/c10-4-5-1-2-7-6(3-5)8(12)9(13)11-7/h1-3H,(H,11,12,13)
InChIKey
FTNCNIBQOCAFOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.12
TPSA
69.96

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.4
Consensus LogP
0.57
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.28

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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