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CAS 142228-70-4 2,2,8-Trimethylchroman-4-one molecular structure lightbox
CAS RN: 142228-70-4

2,2,8-Trimethylchroman-4-one

  • Product code: SSC-053000
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 142228-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry

142228-70-4 / 2,2,8-trimethyl-3H-chromen-4-one

Standard CAS: 142228-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142228-70-4
Multi CAS
No
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
SMILES
CC1=C2C(=CC=C1)C(=O)CC(O2)(C)C
InChI
InChI=1S/C12H14O2/c1-8-5-4-6-9-10(13)7-12(2,3)14-11(8)9/h4-6H,7H2,1-3H3
InChIKey
ODHQKHRCZCLOBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
2
Molar refractivity
54.83
TPSA
26.3

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-1.94

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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