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CAS 76801-93-9 5-Amino-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide molecular structure lightbox
CAS RN: 76801-93-9

5-Amino-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260501 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250525 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250430 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250318 500g In stock Shanghai Inquiry
Batchno.20250818 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-186228
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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, 25g, 100g
  • 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 76801-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

76801-93-9 / 5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Standard CAS: 76801-93-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76801-93-9
Multi CAS
Yes
Molecular Formula
C14H18I3N3O6
Molecular Weight
705.020000
Exact Mass
704.833000
InChI
InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
InChIKey
KAEGSAWWVYMWIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
7
Molar refractivity
119.86
TPSA
165.14

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.6
XLogP3
-0.9
Consensus LogP
-0.75
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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