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CAS 20246-81-5 4,4′-dinitrobiphenyl-2,2′-dicarboxylic acid molecular structure lightbox
CAS RN: 20246-81-5

4,4′-dinitrobiphenyl-2,2′-dicarboxylic acid

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250613 1g In stock Inquiry
Batchno.20250207 25g In stock Inquiry
Batchno.20250817 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 100g Out of stock Inquiry
Batchno.20250226 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250629 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260108 25g In stock Shanghai Inquiry
Batchno.20250106 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-095361
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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: 10g
  • 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 20246-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

20246-81-5 / 2-(2-carboxy-4-nitrophenyl)-5-nitrobenzoic acid

Standard CAS: 20246-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20246-81-5
Multi CAS
No
Molecular Formula
C14H8N2O8
Molecular Weight
332.220000
Exact Mass
332.028065
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H8N2O8/c17-13(18)11-5-7(15(21)22)1-3-9(11)10-4-2-8(16(23)24)6-12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKey
CDYUHLLQUAYYHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
79.11
TPSA
160.88

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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