N-Bromoacetylthyroxine
TL;DR: N-Bromoacetylthyroxine (CAS 6625-92-9) is a chemical compound with molecular formula C17H12BrI4NO5 and molecular weight 896.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Also Known As: N-Bromoacetylthyroxine, N-Bromoacetyl-L-thyroxine, 2-Benzothiazolecarbothioamide, L-Tyrosine, N-(bromoacetyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, (2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
| Molecular Formula | C17H12BrI4NO5 |
|---|---|
| Molecular Weight | 896.61 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 896.6078 |
| Heavy Atoms | 28 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 6625-92-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)NC(=O)CBr |
| InChIKey | RZLOAUPCEMPCAE-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Bromoacetylthyroxine (CAS 6625-92-9), with molecular formula C17H12BrI4NO5 and molecular weight 896.61 g/mol. IUPAC: (2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid.
Chemical Property Profile of N-Bromoacetylthyroxine
Property Insights of N-Bromoacetylthyroxine
The XLogP value of 5.7 indicates that N-Bromoacetylthyroxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Bromoacetylthyroxine. Following Lipinski's Rule of Five, N-Bromoacetylthyroxine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Bromoacetylthyroxine?
The CAS number of N-Bromoacetylthyroxine is 6625-92-9.
What is the molecular formula of N-Bromoacetylthyroxine?
The molecular formula of N-Bromoacetylthyroxine is C17H12BrI4NO5.
What is the molecular weight of N-Bromoacetylthyroxine?
The molecular weight of N-Bromoacetylthyroxine is 896.61 g/mol.
Where can I buy N-Bromoacetylthyroxine?
You can request a quote for N-Bromoacetylthyroxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Bromoacetylthyroxine?
Yes, KEHONG BIO provides custom synthesis services for N-Bromoacetylthyroxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.