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CAS 55-03-8 Levothyroxine sodium molecular structure lightbox
CAS RN: 55-03-8

Levothyroxine sodium

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg In stock Shanghai Inquiry
Batchno.20260317 1g In stock Shanghai Inquiry
Batchno.20250927 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260511 250mg In stock Shanghai Inquiry
Batchno.20250314 25g In stock Shanghai Inquiry
Batchno.20251206 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS55-03-8
  • Purity/Analytical Methods: >99.0%
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55-03-8 / sodium;2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid;hydride

Standard CAS: 55-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55-03-8
Multi CAS
Yes
Molecular Formula
C15H12I4NNAO4
Molecular Weight
800.870000
Exact Mass
800.684300
InChI
InChI=1S/C15H11I4NO4.Na.H/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;/q;+1;-1
InChIKey
MVVWOPZXZIHXFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
125.92
TPSA
92.78

LogP / Solubility

WLOGP
1.67
MLOGP
1.55
XLogP3
1.67
Consensus LogP
1.63
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble

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)
-6.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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