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CAS 70424-94-1 Methyl 3,4,5-Tris(benzyloxy)benzoate molecular structure lightbox
CAS RN: 70424-94-1

Methyl 3,4,5-Tris(benzyloxy)benzoate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260504 100g Out of stock Inquiry
Batchno.20250208 10g In stock Inquiry
Batchno.20250517 1g In stock Inquiry
Batchno.20250714 25g In stock Inquiry
Batchno.20260516 5g In stock Inquiry
  • Product code: SSC-180218
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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: 25g
  • 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 70424-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

70424-94-1 / methyl 3,4,5-tris(phenylmethoxy)benzoate

Standard CAS: 70424-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70424-94-1
Multi CAS
No
Molecular Formula
C29H26O5
Molecular Weight
454.500000
Exact Mass
454.178024
InChI
InChI=1S/C29H26O5/c1-31-29(30)25-17-26(32-19-22-11-5-2-6-12-22)28(34-21-24-15-9-4-10-16-24)27(18-25)33-20-23-13-7-3-8-14-23/h2-18H,19-21H2,1H3
InChIKey
MAUSJTNDKNFSEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
130.1
TPSA
53.99

LogP / Solubility

WLOGP
6.21
MLOGP
5.5
XLogP3
6.2
Consensus LogP
5.97
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
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)
-1.08

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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