N-Bromoacetyl-3,3',5-triiodothyronine
TL;DR: N-Bromoacetyl-3,3',5-triiodothyronine (CAS 76970-94-0) is a chemical compound with molecular formula C17H13BrI3NO5 and molecular weight 770.71 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-iodophenoxy)-3,5-diiodophenyl]propanoic acid
Also Known As: N-Bromoacetyl-T3, Brac(125I)T3, N-Bromoacetyl-(125I)T3, N-bromoacetyl-3,3',5-triiodothyronine, N-Bromoacetyl-3,3',5-triiodo-L-thyronine
| Molecular Formula | C17H13BrI3NO5 |
|---|---|
| Molecular Weight | 770.71 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 770.7111 |
| Heavy Atoms | 27 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 76970-94-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)NC(=O)CBr)I)I)O |
| InChIKey | AGUVIBCJWRFUTQ-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Bromoacetyl-3,3',5-triiodothyronine (CAS 76970-94-0), with molecular formula C17H13BrI3NO5 and molecular weight 770.71 g/mol. IUPAC: (2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid.
Chemical Property Profile of N-Bromoacetyl-3,3',5-triiodothyronine
Property Insights of N-Bromoacetyl-3,3',5-triiodothyronine
The XLogP value of 5.0 indicates that N-Bromoacetyl-3,3',5-triiodothyronine 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-Bromoacetyl-3,3',5-triiodothyronine. Following Lipinski's Rule of Five, N-Bromoacetyl-3,3',5-triiodothyronine 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-Bromoacetyl-3,3',5-triiodothyronine?
The CAS number of N-Bromoacetyl-3,3',5-triiodothyronine is 76970-94-0.
What is the molecular formula of N-Bromoacetyl-3,3',5-triiodothyronine?
The molecular formula of N-Bromoacetyl-3,3',5-triiodothyronine is C17H13BrI3NO5.
What is the molecular weight of N-Bromoacetyl-3,3',5-triiodothyronine?
The molecular weight of N-Bromoacetyl-3,3',5-triiodothyronine is 770.71 g/mol.
Where can I buy N-Bromoacetyl-3,3',5-triiodothyronine?
You can request a quote for N-Bromoacetyl-3,3',5-triiodothyronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Bromoacetyl-3,3',5-triiodothyronine?
Yes, KEHONG BIO provides custom synthesis services for N-Bromoacetyl-3,3',5-triiodothyronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.