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CAS 61788-44-1 Styrenated phenol molecular structure lightbox
CAS RN: 61788-44-1

Styrenated phenol

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251020 100g In stock Shanghai Inquiry
Batchno.20251029 1kg In stock Shanghai Inquiry
Batchno.20250624 25g In stock Shanghai Inquiry
Batchno.20251213 500g In stock Shanghai Inquiry
  • Product code: starshine_CAS61788-44-1
  • Purity/Analytical Methods: >99.0%
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61788-44-1 / 2,4,6-tris(1-phenylethyl)phenol

Standard CAS: 61788-44-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
61788-44-1
Multi CAS
Yes
Molecular Formula
C30H30O
Molecular Weight
406.600000
Exact Mass
406.229666
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

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