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CAS 18835-59-1 3,5-Diiodo-L-tyrosine Dihydrate molecular structure lightbox
CAS RN: 18835-59-1

3,5-Diiodo-L-tyrosine Dihydrate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 100g In stock Inquiry
Batchno.20251109 25g In stock Shanghai Inquiry
Batchno.20260514 25g In stock Inquiry
Batchno.20250307 5g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260311 5g In stock Inquiry
  • Product code: SSC-087614
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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: 100g
  • 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 18835-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

18835-59-1 / (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;dihydrate

Standard CAS: 18835-59-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18835-59-1
Multi CAS
No
Molecular Formula
C9H13I2NO5
Molecular Weight
469.010000
Exact Mass
468.888320
SMILES
C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N.O.O
InChI
InChI=1S/C9H9I2NO3.2H2O/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);2*1H2/t7-;;/m0../s1
InChIKey
YWAGQOOMOOUEGY-KLXURFKVSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
80.08
TPSA
146.55

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.05
XLogP3
-0.09
Consensus LogP
-0.08
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-5.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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