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CAS 66-02-4 2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid molecular structure lightbox
CAS RN: 66-02-4

2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

  • Product code: SSC-175614
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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: 0.25g
  • 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 66-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

66-02-4 / 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

Standard CAS: 66-02-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66-02-4
Multi CAS
Yes
Molecular Formula
C9H9I2NO3
Molecular Weight
432.980000
Exact Mass
432.867190
InChI
InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)
InChIKey
NYPYHUZRZVSYKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
72.86
TPSA
83.55

LogP / Solubility

WLOGP
1.56
MLOGP
1.4
XLogP3
-0.5
Consensus LogP
0.82
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26

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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