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CAS 81-92-5 2-[Bis(4-hydroxyphenyl)methyl]benzyl Alcohol molecular structure lightbox
CAS RN: 81-92-5

2-[Bis(4-hydroxyphenyl)methyl]benzyl Alcohol

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 1g In stock Inquiry
Batchno.20260517 250mg In stock Inquiry
Batchno.20250512 25g In stock Inquiry
Batchno.20250401 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: ICTB0100
  • Purity/Analytical Methods: >98.0%(GC)
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81-92-5 / 4-[[2-(hydroxymethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol

Standard CAS: 81-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81-92-5
Multi CAS
No
Molecular Formula
C20H18O3
Molecular Weight
306.400000
Exact Mass
306.125594
InChI
InChI=1S/C20H18O3/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20-23H,13H2
InChIKey
CREICILGVGNQBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
89.52
TPSA
60.69

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
3.7
Consensus LogP
3.6
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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