N-(ethyl-2-diazomalonyl)thyroxine
TL;DR: N-(ethyl-2-diazomalonyl)thyroxine (CAS 83181-47-9) is a chemical compound with molecular formula C20H15I4N3O7 and molecular weight 916.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Also Known As: Edm-T4, N-(Ethyl-2-diazomalonyl)thyroxine, (2S)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid, L-Tyrosine, N-(2-diazo-3-ethoxy-1,3-dioxopropyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, (E)-2-diazonio-1-ethoxy-3-[[(2S)-1-hydroxy-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-1-olate
| Molecular Formula | C20H15I4N3O7 |
|---|---|
| Molecular Weight | 916.71 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 916.7089 |
| Heavy Atoms | 34 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 83181-47-9 |
|---|---|
| SMILES | CCOC(=O)C(=[N+]=[N-])C(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O |
| InChIKey | XQCBTROWXKXLSP-AWEZNQCLSA-N |
Product Overview
N-(ethyl-2-diazomalonyl)thyroxine (CAS 83181-47-9), with molecular formula C20H15I4N3O7 and molecular weight 916.71 g/mol. IUPAC: (2S)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid.
Chemical Property Profile of N-(ethyl-2-diazomalonyl)thyroxine
Property Insights of N-(ethyl-2-diazomalonyl)thyroxine
The XLogP value of 6.4 indicates that N-(ethyl-2-diazomalonyl)thyroxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(ethyl-2-diazomalonyl)thyroxine. Following Lipinski's Rule of Five, N-(ethyl-2-diazomalonyl)thyroxine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(ethyl-2-diazomalonyl)thyroxine?
The CAS number of N-(ethyl-2-diazomalonyl)thyroxine is 83181-47-9.
What is the molecular formula of N-(ethyl-2-diazomalonyl)thyroxine?
The molecular formula of N-(ethyl-2-diazomalonyl)thyroxine is C20H15I4N3O7.
What is the molecular weight of N-(ethyl-2-diazomalonyl)thyroxine?
The molecular weight of N-(ethyl-2-diazomalonyl)thyroxine is 916.71 g/mol.
Where can I buy N-(ethyl-2-diazomalonyl)thyroxine?
You can request a quote for N-(ethyl-2-diazomalonyl)thyroxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(ethyl-2-diazomalonyl)thyroxine?
Yes, KEHONG BIO provides custom synthesis services for N-(ethyl-2-diazomalonyl)thyroxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.