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CAS 112656-95-8 7-NITROISATIN molecular structure lightbox
CAS RN: 112656-95-8

7-NITROISATIN

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 250mg / 1g / 5g / 10g / 50g / 250g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-012992
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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: 10g
  • 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 112656-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

112656-95-8 / 7-nitro-1H-indole-2,3-dione

7-nitro-2,3-dihydro-1H-indole-2,3-dione | RefChem:546906 | 808-794-8

Standard CAS: 112656-95-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112656-95-8
Multi CAS
No
Molecular Formula
C8H4N2O4
Molecular Weight
192.130000
Exact Mass
192.017107
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)C2=O
InChI
InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)9-8(7)12/h1-3H,(H,9,11,12)
InChIKey
GVZRFFXBGZSJTH-UHFFFAOYSA-N
Synonyms
7-nitro-2,3-dihydro-1H-indole-2,3-dione RefChem:546906 808-794-8 7-Nitroindoline-2,3-dione 7-nitroisatin

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.06
TPSA
89.31

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.5
Consensus LogP
0.62
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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