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CAS 79831-88-2 3,4,5-Tris(benzyloxy)benzyl Alcohol molecular structure lightbox
CAS RN: 79831-88-2

3,4,5-Tris(benzyloxy)benzyl Alcohol

  • Product code: SSC-188885
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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: ≥98%
  • 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 79831-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

79831-88-2 / [3,4,5-tris(phenylmethoxy)phenyl]methanol

Standard CAS: 79831-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79831-88-2
Multi CAS
No
Molecular Formula
C28H26O4
Molecular Weight
426.500000
Exact Mass
426.183109
InChI
InChI=1S/C28H26O4/c29-18-25-16-26(30-19-22-10-4-1-5-11-22)28(32-21-24-14-8-3-9-15-24)27(17-25)31-20-23-12-6-2-7-13-23/h1-17,29H,18-21H2
InChIKey
FWPHSYJOSSBILN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
124.69
TPSA
47.92

LogP / Solubility

WLOGP
5.92
MLOGP
5.23
XLogP3
5.4
Consensus LogP
5.52
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.54
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)
-1.12

Drug-likeness / Medicinal Chemistry

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

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