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CAS 52090-24-1 2-METHYL-3,5-DINITRO-BENZOIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 52090-24-1

2-METHYL-3,5-DINITRO-BENZOIC ACID METHYL ESTER

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 1g In stock Inquiry
Batchno.20250521 25g In stock Inquiry
Batchno.20260402 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251017 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-159158
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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: 5g, 10g, 25g, 100g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 52090-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 4 In Stock Shenzhen Inquiry
1g >97% 3 In Stock Hong Kong Inquiry

52090-24-1 / methyl 2-methyl-3,5-dinitrobenzoate

Standard CAS: 52090-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52090-24-1
Multi CAS
No
Molecular Formula
C9H8N2O6
Molecular Weight
240.170000
Exact Mass
240.038236
InChI
InChI=1S/C9H8N2O6/c1-5-7(9(12)17-2)3-6(10(13)14)4-8(5)11(15)16/h3-4H,1-2H3
InChIKey
ISOMVMHVOAAAJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
55.83
TPSA
112.58

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-3.05

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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