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CAS 5292-45-5 Dimethyl Nitroterephthalate molecular structure lightbox
CAS RN: 5292-45-5

Dimethyl Nitroterephthalate

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260111 100g Out of stock Inquiry
Batchno.20250630 1kg Out of stock Inquiry
Batchno.20250512 250g In stock Inquiry
Batchno.20251106 25g In stock Inquiry
Batchno.20250814 50g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-160071
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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: 100g
  • 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 5292-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

5292-45-5 / dimethyl 2-nitrobenzene-1,4-dicarboxylate

Standard CAS: 5292-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5292-45-5
Multi CAS
No
Molecular Formula
C10H9NO6
Molecular Weight
239.180000
Exact Mass
239.042987
InChI
InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
InChIKey
PAYWCKGMOYQZAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
55.78
TPSA
95.74

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.6
Consensus LogP
1.27
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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