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CAS 2403-53-4 2-(4-nitrophenyl)-1,3-dioxolane molecular structure lightbox
CAS RN: 2403-53-4

2-(4-nitrophenyl)-1,3-dioxolane

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250314 25g In stock Shenzhen Inquiry
Batchno.20251111 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-117095
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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, 10g, 25g
  • Available purity: ≥95%
  • 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 2403-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
25g ≥95% 1 In Stock Beijing Inquiry

2403-53-4 / 2-(4-nitrophenyl)-1,3-dioxolane

Standard CAS: 2403-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2403-53-4
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
SMILES
C1COC(O1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO4/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2
InChIKey
RIXYVXYKLYQCSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
47.74
TPSA
61.6

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

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