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CAS 216018-58-5 2,2′:6′,2”-TERPYRIDINE-4,4′,4”-TRICARBOXYLIC ACID molecular structure lightbox
CAS RN: 216018-58-5

2,2′:6′,2”-TERPYRIDINE-4,4′,4”-TRICARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251123 1g In stock Inquiry
Batchno.20260517 250mg In stock Inquiry
Batchno.20250823 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260208 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260615 1g In stock Shanghai Inquiry
Batchno.20260327 250mg In stock Shanghai Inquiry
Batchno.20260301 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-103532
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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: 1g
  • Available purity: ≥95%
  • 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 216018-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

216018-58-5 / 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid

Standard CAS: 216018-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216018-58-5
Multi CAS
No
Molecular Formula
C18H11N3O6
Molecular Weight
365.300000
Exact Mass
365.064785
SMILES
C1=CN=C(C=C1C(=O)O)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27)
InChIKey
NTXWAWVRPLVLKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
91.58
TPSA
150.57

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
0.7
Consensus LogP
1.68
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-3.32

Drug-likeness / Medicinal Chemistry

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

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