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CAS 60357-78-0 7-Nitro-1,2-benzisoxazol-3(2H)-one molecular structure lightbox
CAS RN: 60357-78-0

7-Nitro-1,2-benzisoxazol-3(2H)-one

  • Product code: SSC-168939
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 60357-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry

60357-78-0 / 7-nitro-1,2-benzoxazol-3-one

Standard CAS: 60357-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60357-78-0
Multi CAS
No
Molecular Formula
C7H4N2O4
Molecular Weight
180.120000
Exact Mass
180.017107
InChI
InChI=1S/C7H4N2O4/c10-7-4-2-1-3-5(9(11)12)6(4)13-8-7/h1-3H,(H,8,10)
InChIKey
USIDBICZJTWOCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.49
TPSA
89.14

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.09

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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