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CAS 103213-31-6 FMOC-3,5-DIIODO-L-TYROSINE molecular structure lightbox
CAS RN: 103213-31-6

FMOC-3,5-DIIODO-L-TYROSINE

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 100g In stock Inquiry
Batchno.20251024 1g In stock Inquiry
Batchno.20250117 25g In stock Inquiry
Batchno.20251217 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-004643
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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: ≥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 103213-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

103213-31-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

Fmoc-3,5-diiodo-Tyr-OH | 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid | C24H19I2NO5

Standard CAS: 103213-31-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103213-31-6
Multi CAS
Yes
Molecular Formula
C24H19I2NO5
Molecular Weight
655.200000
Exact Mass
654.935270
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C(=C4)I)O)I)C(=O)O
InChI
InChI=1S/C24H19I2NO5/c25-19-9-13(10-20(26)22(19)28)11-21(23(29)30)27-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21,28H,11-12H2,(H,27,31)(H,29,30)/t21-/m0/s1
InChIKey
IKNWCIROCRMKAY-NRFANRHFSA-N
Synonyms
Fmoc-3,5-diiodo-Tyr-OH 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid C24H19I2NO5 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid DTXSID00399820

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
136.87
TPSA
95.86

LogP / Solubility

WLOGP
5.14
MLOGP
4.57
XLogP3
5.6
Consensus LogP
5.1
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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