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CAS 57052-99-0 DIMETHYL 5-NITROISOPHTHALATE 98+% molecular structure lightbox
CAS RN: 57052-99-0

DIMETHYL 5-NITROISOPHTHALATE 98+%

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250503 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-165151
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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
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 57052-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry

57052-99-0 / dimethyl 5-nitrobenzene-1,3-dicarboxylate

Standard CAS: 57052-99-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57052-99-0
Multi CAS
Yes
Molecular Formula
C10H9NO6
Molecular Weight
239.180000
Exact Mass
239.042987
InChI
InChI=1S/C10H9NO6/c1-16-9(12)6-4-3-5-7(10(13)17-2)8(6)11(14)15/h3-5H,1-2H3
InChIKey
UZMFVOACDBUXRK-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
1.9
Consensus LogP
1.37
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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