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CAS 1027-28-7 N-Acetyl-3,5-diiodo-L-tyrosine molecular structure lightbox
CAS RN: 1027-28-7

N-Acetyl-3,5-diiodo-L-tyrosine

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 1g In stock Inquiry
Batchno.20250317 25g Out of stock Inquiry
Batchno.20250411 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 10g In stock Shanghai Inquiry
Batchno.20250812 25g Out of stock Inquiry
Batchno.20260214 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-004019
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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: 10g
  • 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 1027-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1027-28-7 / 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

EINECS 213-837-3 | NSC 76100 | AI3-62313

Standard CAS: 1027-28-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1027-28-7
Multi CAS
Yes
Molecular Formula
C11H11I2NO4
Molecular Weight
475.020000
Exact Mass
474.877750
SMILES
CC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O
InChI
InChI=1S/C11H11I2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)
InChIKey
CDXURJOCZAIXFK-UHFFFAOYSA-N
Synonyms
EINECS 213-837-3 NSC 76100 AI3-62313 RefChem:162535 213-837-3

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
82.49
TPSA
86.63

LogP / Solubility

WLOGP
1.73
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-4.39

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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