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CAS 1969-74-0 2-phenylisatogen molecular structure lightbox
CAS RN: 1969-74-0

2-phenylisatogen

  • Product code: SSC-092908
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1969-74-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry

1969-74-0 / 1-oxido-2-phenylindol-1-ium-3-one

Standard CAS: 1969-74-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1969-74-0
Multi CAS
No
Molecular Formula
C14H9NO2
Molecular Weight
223.230000
Exact Mass
223.063329
SMILES
C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]
InChI
InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9H
InChIKey
WXFLHMJSSLDOPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.61
TPSA
43.14

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.1
Consensus LogP
2.28
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

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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