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CAS 59269-93-1 3-HYDROXY-2,2-DIMETHYLINDAN-1-ONE molecular structure lightbox
CAS RN: 59269-93-1

3-HYDROXY-2,2-DIMETHYLINDAN-1-ONE

  • Product code: SSC-167683
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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: 0.25g, 0.1g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 59269-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

59269-93-1 / 3-hydroxy-2,2-dimethyl-3H-inden-1-one

Standard CAS: 59269-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59269-93-1
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
InChI
InChI=1S/C11H12O2/c1-11(2)9(12)7-5-3-4-6-8(7)10(11)13/h3-6,9,12H,1-2H3
InChIKey
YATVHPCKCBERKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.51
TPSA
37.3

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.5
Consensus LogP
1.72
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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