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CAS 51694-22-5 2-NITROPHENYL SELENOCYANATE molecular structure lightbox
CAS RN: 51694-22-5

2-NITROPHENYL SELENOCYANATE

  • Product code: SSC-158637
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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: 1g, 5g, 0.25g, 10g, 0.1g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 51694-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
10g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

51694-22-5 / (2-nitrophenyl) selenocyanate

Standard CAS: 51694-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51694-22-5
Multi CAS
No
Molecular Formula
C7H4N2O2SE
Molecular Weight
227.090000
Exact Mass
227.943800
InChI
InChI=1S/C7H4N2O2Se/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H
InChIKey
LHBLJWULWKQRON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.1
TPSA
66.93

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.41
Consensus LogP
0.39
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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