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CAS 52522-49-3 2,3,5-tri-O-benzyl-1,0-(4-nitrobenzoyl)-D-arabinofuranose molecular structure lightbox
CAS RN: 52522-49-3

2,3,5-tri-O-benzyl-1,0-(4-nitrobenzoyl)-D-arabinofuranose

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 250mg In stock Tianjin Inquiry
Batchno.20250305 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-159642
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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: 10g
  • 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 52522-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

52522-49-3 / [(3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] 4-nitrobenzoate

Standard CAS: 52522-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52522-49-3
Multi CAS
Yes
Molecular Formula
C33H31NO8
Molecular Weight
569.600000
Exact Mass
569.204967
InChI
InChI=1S/C33H31NO8/c35-32(27-16-18-28(19-17-27)34(36)37)42-33-31(40-22-26-14-8-3-9-15-26)30(39-21-25-12-6-2-7-13-25)29(41-33)23-38-20-24-10-4-1-5-11-24/h1-19,29-31,33H,20-23H2/t29-,30-,31+,33?/m1/s1
InChIKey
VBDBDZHLJKDSSB-UFRUDBOASA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
13
H-bond acceptors
8
Molar refractivity
153.31
TPSA
106.36

LogP / Solubility

WLOGP
5.86
MLOGP
5.2
XLogP3
5.6
Consensus LogP
5.55
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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