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CAS 61-28-9 1-ethyl-1,3-dihydro-2H-indol-2-one molecular structure lightbox
CAS RN: 61-28-9

1-ethyl-1,3-dihydro-2H-indol-2-one

  • Product code: SSC-169692
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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 61-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Hong Kong Inquiry
0.25g >97% 3 In Stock Shenzhen Inquiry
1g >97% 3 In Stock Beijing Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Beijing Inquiry

61-28-9 / 1-ethyl-3H-indol-2-one

Standard CAS: 61-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61-28-9
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
InChI
InChI=1S/C10H11NO/c1-2-11-9-6-4-3-5-8(9)7-10(11)12/h3-6H,2,7H2,1H3
InChIKey
VSMXLKGFTKFOSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.17
TPSA
20.31

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.57

Drug-likeness / Medicinal Chemistry

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

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