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CAS 55160-02-6 3-(4-Methoxybenzylidene)-2-indolinone molecular structure lightbox
CAS RN: 55160-02-6

3-(4-Methoxybenzylidene)-2-indolinone

  • Product code: SSC-163002
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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
  • Available purity: ≥97%
  • 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 55160-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

55160-02-6 / (3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one

Standard CAS: 55160-02-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55160-02-6
Multi CAS
Yes
Molecular Formula
C16H13NO2
Molecular Weight
251.280000
Exact Mass
251.094629
InChI
InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-10H,1H3,(H,17,18)
InChIKey
SOHLANGNFXOOEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.94
TPSA
38.33

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
2.9
Consensus LogP
2.97
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

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

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