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CAS 747414-18-2 Ethanone, 1-[5-(1-Methylethyl)-2,4-bis(phenylMethoxy)phenyl]- molecular structure lightbox
CAS RN: 747414-18-2

Ethanone, 1-[5-(1-Methylethyl)-2,4-bis(phenylMethoxy)phenyl]-

  • Product code: SSC-184225
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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: ≥95%
  • 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 747414-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

747414-18-2 / 1-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]ethanone

Standard CAS: 747414-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
747414-18-2
Multi CAS
No
Molecular Formula
C25H26O3
Molecular Weight
374.500000
Exact Mass
374.188195
InChI
InChI=1S/C25H26O3/c1-18(2)22-14-23(19(3)26)25(28-17-21-12-8-5-9-13-21)15-24(22)27-16-20-10-6-4-7-11-20/h4-15,18H,16-17H2,1-3H3
InChIKey
RLXQJELUJMDJFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
112.08
TPSA
35.53

LogP / Solubility

WLOGP
6.17
MLOGP
5.45
XLogP3
5.7
Consensus LogP
5.77
Log S (ESOL)
-6
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
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
Yes
Log Kp (skin permeation)
-0.62

Drug-likeness / Medicinal Chemistry

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

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