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CAS 37593-06-9 1-(4-DECYLPHENYL)ETHAN-1-ONE molecular structure lightbox
CAS RN: 37593-06-9

1-(4-DECYLPHENYL)ETHAN-1-ONE

  • Product code: SSC-145013
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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: 1g
  • 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 37593-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

37593-06-9 / 1-(4-decylphenyl)ethanone

Standard CAS: 37593-06-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37593-06-9
Multi CAS
Yes
Molecular Formula
C18H28O
Molecular Weight
260.400000
Exact Mass
260.214016
InChI
InChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-11-17-12-14-18(15-13-17)16(2)19/h12-15H,3-11H2,1-2H3
InChIKey
ICORQKDHLXIGHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
82.76
TPSA
17.07

LogP / Solubility

WLOGP
5.57
MLOGP
4.91
XLogP3
6.5
Consensus LogP
5.66
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.18
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)
-0.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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