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CAS 96-83-3 Iopanoic Acid molecular structure lightbox
CAS RN: 96-83-3

Iopanoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-211797
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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: ≥98%
  • 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 96-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

96-83-3 / 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid

Standard CAS: 96-83-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
96-83-3
Multi CAS
Yes
Molecular Formula
C11H12I3NO2
Molecular Weight
570.930000
Exact Mass
570.800200
InChI
InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey
OIRFJRBSRORBCM-UHFFFAOYSA-N

Physical Properties

Melting Point
MELTS WITH DECOMP BETWEEN 152 DEG & 158 °C CRYSTALS; SPECIFIC OPTICAL ROTATION (ETHANOL, 2%): -5.2 +/- 0.1 DEG @ 20 °C/D; MP: 162-163 °C /L-ISOMER/ CRYSTALS; SPECIFIC OPTICAL ROTATION (ETHANOL, 2%): +5.1 +/- 0.1 DEG @ 20 °C/D; MP: 162 °C /D-ISOMER/
Appearance
POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
94.13
TPSA
63.32

LogP / Solubility

WLOGP
3.74
MLOGP
3.33
XLogP3
3.9
Consensus LogP
3.66
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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