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CAS 365549-33-3 (E)-5,5′-(diazene-1,2-diyl)diisophthalic acid molecular structure lightbox
CAS RN: 365549-33-3

(E)-5,5′-(diazene-1,2-diyl)diisophthalic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-143756
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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: ≥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 365549-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

365549-33-3 / 5-[(3,5-dicarboxyphenyl)diazenyl]benzene-1,3-dicarboxylic acid

Standard CAS: 365549-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
365549-33-3
Multi CAS
No
Molecular Formula
C16H10N2O8
Molecular Weight
358.260000
Exact Mass
358.043715
InChI
InChI=1S/C16H10N2O8/c19-13(20)7-1-8(14(21)22)4-11(3-7)17-18-12-5-9(15(23)24)2-10(6-12)16(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey
MXBBZODCMBYDCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
84.9
TPSA
173.92

LogP / Solubility

WLOGP
2.89
MLOGP
2.57
XLogP3
1.8
Consensus LogP
2.42
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

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

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