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CAS 59434-20-7 Phloroglucin Tribenzyl Ether molecular structure lightbox
CAS RN: 59434-20-7

Phloroglucin Tribenzyl Ether

  • Product code: SSC-167885
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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 59434-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

59434-20-7 / 1,3,5-tris(phenylmethoxy)benzene

Standard CAS: 59434-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59434-20-7
Multi CAS
No
Molecular Formula
C27H24O3
Molecular Weight
396.500000
Exact Mass
396.172545
InChI
InChI=1S/C27H24O3/c1-4-10-22(11-5-1)19-28-25-16-26(29-20-23-12-6-2-7-13-23)18-27(17-25)30-21-24-14-8-3-9-15-24/h1-18H,19-21H2
InChIKey
UMHMEKANHYREIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
118.76
TPSA
27.69

LogP / Solubility

WLOGP
6.42
MLOGP
5.68
XLogP3
6.3
Consensus LogP
6.13
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
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)
-0.58

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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