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CAS 603-62-3 3-Nitrophthalimide molecular structure lightbox
CAS RN: 603-62-3

3-Nitrophthalimide

  • Product code: SSC-168867
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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: 25g, 100g, 500g
  • Available purity: >98%
  • 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 603-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry
100g >98% 0 Out of Stock Shenzhen Inquiry
500g >98% 0 Out of Stock Hong Kong Inquiry

603-62-3 / 4-nitroisoindole-1,3-dione

Standard CAS: 603-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
603-62-3
Multi CAS
Yes
Molecular Formula
C8H4N2O4
Molecular Weight
192.130000
Exact Mass
192.017107
InChI
InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)
InChIKey
BONIIQYTWOPUQI-UHFFFAOYSA-N

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
44.89
TPSA
89.31

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.5
Consensus LogP
0.47
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.55

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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