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CAS 2234-14-2 2′,4′,6′-TRIISOPROPYLACETOPHENONE molecular structure lightbox
CAS RN: 2234-14-2

2′,4′,6′-TRIISOPROPYLACETOPHENONE

  • Product code: SSC-108926
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2234-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

2234-14-2 / 1-[2,4,6-tri(propan-2-yl)phenyl]ethanone

Standard CAS: 2234-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2234-14-2
Multi CAS
No
Molecular Formula
C17H26O
Molecular Weight
246.400000
Exact Mass
246.198365
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)C)C(C)C
InChI
InChI=1S/C17H26O/c1-10(2)14-8-15(11(3)4)17(13(7)18)16(9-14)12(5)6/h8-12H,1-7H3
InChIKey
SGRDDUKVLKWIBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
78.71
TPSA
17.07

LogP / Solubility

WLOGP
5.26
MLOGP
4.63
XLogP3
5
Consensus LogP
4.96
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.49

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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