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CAS 18254-13-2 2,4,6-tris(1-phenylethyl)phenol molecular structure lightbox
CAS RN: 18254-13-2

2,4,6-tris(1-phenylethyl)phenol

  • Product code: SSC-084539
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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 18254-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

18254-13-2 / 2,4,6-tris(1-phenylethyl)phenol

Standard CAS: 18254-13-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
18254-13-2
Multi CAS
No
Molecular Formula
C30H30O
Molecular Weight
406.600000
Exact Mass
406.229666
SMILES
CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3)O)C(C)C4=CC=CC=C4
InChI
InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3
InChIKey
BYLSIPUARIZAHZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
129.98
TPSA
20.23

LogP / Solubility

WLOGP
7.85
MLOGP
6.93
XLogP3
8.3
Consensus LogP
7.69
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-8.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.54
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)
0.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 112 of 113 companies (only 0.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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