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CAS 1486-48-2 3,4,5-Tris(benzyloxy)benzoic Acid molecular structure lightbox
CAS RN: 1486-48-2

3,4,5-Tris(benzyloxy)benzoic Acid

  • Product code: SSC-058843
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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: 5g
  • Available purity: ≥97%
  • 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 1486-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

1486-48-2 / 3,4,5-tris(phenylmethoxy)benzoic acid

Standard CAS: 1486-48-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1486-48-2
Multi CAS
No
Molecular Formula
C28H24O5
Molecular Weight
440.500000
Exact Mass
440.162374
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C28H24O5/c29-28(30)24-16-25(31-18-21-10-4-1-5-11-21)27(33-20-23-14-8-3-9-15-23)26(17-24)32-19-22-12-6-2-7-13-22/h1-17H,18-20H2,(H,29,30)
InChIKey
NRCGMEJBEDWPMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
125.72
TPSA
64.99

LogP / Solubility

WLOGP
6.12
MLOGP
5.42
XLogP3
5.8
Consensus LogP
5.78
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
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)
-1.06

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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