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CAS 353289-47-1 [1,1′,3′,1″,3″,1″‘-Quaterphenyl]-3,3”’-dimethylalcohol molecular structure lightbox
CAS RN: 353289-47-1

[1,1′,3′,1″,3″,1″‘-Quaterphenyl]-3,3”’-dimethylalcohol

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 1g Out of stock 5-7 business days Inquiry
Batchno.20250619 250mg In stock Shanghai Inquiry
  • Product code: LINQ887109
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353289-47-1 / [4-[3,5-bis[4-(hydroxymethyl)phenyl]phenyl]phenyl]methanol

Standard CAS: 353289-47-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
353289-47-1
Multi CAS
Yes
Molecular Formula
C27H24O3
Molecular Weight
396.500000
Exact Mass
396.172545
InChI
InChI=1S/C27H24O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-15,28-30H,16-18H2
InChIKey
KIMHSAOJBYOCOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
120.52
TPSA
60.69

LogP / Solubility

WLOGP
5.16
MLOGP
4.57
XLogP3
4.1
Consensus LogP
4.61
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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