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CAS 23456-78-2 5,6-dihydro-1H-indol-7(4H)-one molecular structure lightbox
CAS RN: 23456-78-2

5,6-dihydro-1H-indol-7(4H)-one

  • Product code: SSC-113297
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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: 2
  • 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 23456-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g -- 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

23456-78-2 / 1,4,5,6-tetrahydroindol-7-one

Standard CAS: 23456-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23456-78-2
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
SMILES
C1CC2=C(C(=O)C1)NC=C2
InChI
InChI=1S/C8H9NO/c10-7-3-1-2-6-4-5-9-8(6)7/h4-5,9H,1-3H2
InChIKey
HBNLHFPGBPXSNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.06
TPSA
32.86

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
1.1
Consensus LogP
1.32
Log S (ESOL)
-2.01
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
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

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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