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CAS 51792-85-9 1,4-DIBENZYLOXY-2-NITROBENZENE molecular structure lightbox
CAS RN: 51792-85-9

1,4-DIBENZYLOXY-2-NITROBENZENE

  • Product code: SSC-158765
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51792-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 3 In Stock Shenzhen Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

51792-85-9 / 2-nitro-1,4-bis(phenylmethoxy)benzene

Standard CAS: 51792-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51792-85-9
Multi CAS
No
Molecular Formula
C20H17NO4
Molecular Weight
335.400000
Exact Mass
335.115758
InChI
InChI=1S/C20H17NO4/c22-21(23)19-13-18(24-14-16-7-3-1-4-8-16)11-12-20(19)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKey
QDZFMSSFDIBXED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
94.64
TPSA
61.6

LogP / Solubility

WLOGP
4.75
MLOGP
4.2
XLogP3
4.7
Consensus LogP
4.55
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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