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CAS 2450-26-2 4-HYDROXY-3-METHOXY-2-NITROBENZALDEHYDE molecular structure lightbox
CAS RN: 2450-26-2

4-HYDROXY-3-METHOXY-2-NITROBENZALDEHYDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260127 1g In stock Inquiry
Batchno.20250106 250mg In stock Inquiry
Batchno.20251031 25g In stock Inquiry
Batchno.20260103 5g In stock Inquiry
  • Product code: SSC-119133
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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: 5g
  • 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 2450-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

2450-26-2 / 2-methoxy-4-nitrobenzoic acid

Standard CAS: 2450-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2450-26-2
Multi CAS
No
Molecular Formula
C8H7NO5
Molecular Weight
197.140000
Exact Mass
197.032422
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H7NO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
KPJXEWJRJKEOCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.61
TPSA
89.67

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.28
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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

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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