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CAS 569-58-4 Aluminon (mixture of isomers) molecular structure lightbox
CAS RN: 569-58-4

Aluminon (mixture of isomers)

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260420 100g In stock Shanghai, Wuhan Inquiry
Batchno.20260625 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250721 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 100g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251111 2.5kg In stock Shandong Inquiry
Batchno.20250318 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20251003 500g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei 5-7 business days Inquiry
  • Product code: SSC-164936
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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: 100g
  • 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 569-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

569-58-4 / azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid

Standard CAS: 569-58-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
569-58-4
Multi CAS
Yes
Molecular Formula
C22H23N3O9
Molecular Weight
473.400000
Exact Mass
473.143429
InChI
InChI=1S/C22H14O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);3*1H3
InChIKey
AIPNSHNRCQOTRI-UHFFFAOYSA-N

Physical Properties

Physical Description
Yellowish-brown solid; [Merck Index] Dark red powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
8
Molar refractivity
121.09
TPSA
274.43

LogP / Solubility

WLOGP
2.93
MLOGP
2.61
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

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

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