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CAS 78392-97-9 (4-Decyloxy-phenyl)-phenyl-methanone molecular structure lightbox
CAS RN: 78392-97-9

(4-Decyloxy-phenyl)-phenyl-methanone

  • Product code: SSC-187803
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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: 500g
  • Available purity: ≥98%
  • 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 78392-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

78392-97-9 / (4-decoxyphenyl)-phenylmethanone

Standard CAS: 78392-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78392-97-9
Multi CAS
No
Molecular Formula
C23H30O2
Molecular Weight
338.500000
Exact Mass
338.224580
InChI
InChI=1S/C23H30O2/c1-2-3-4-5-6-7-8-12-19-25-22-17-15-21(16-18-22)23(24)20-13-10-9-11-14-20/h9-11,13-18H,2-8,12,19H2,1H3
InChIKey
HQUPVZXXKOHWPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
104.42
TPSA
26.3

LogP / Solubility

WLOGP
6.44
MLOGP
5.68
XLogP3
7.9
Consensus LogP
6.67
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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