3'-Bromo-3,5,5'-triiodothyronine
TL;DR: 3'-Bromo-3,5,5'-triiodothyronine (CAS 77667-01-7) is a chemical compound with molecular formula C15H11BrI3NO4 and molecular weight 728.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[4-(3-bromo-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl]propanoic acid
Also Known As: Pseudo-T4, BrT3, 3'-Bromo-T3, 3'-Bromo-3,5,5'-triiodothyronine, 3'-Brt3
| Molecular Formula | C15H11BrI3NO4 |
|---|---|
| Molecular Weight | 728.70 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 728.7006 |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 77667-01-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)Br)I)C[C@@H](C(=O)O)N |
| InChIKey | YSUYFSUSYJMLTH-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Bromo-3,5,5'-triiodothyronine (CAS 77667-01-7), with molecular formula C15H11BrI3NO4 and molecular weight 728.70 g/mol. IUPAC: (2S)-2-amino-3-[4-(3-bromo-4-hydroxy-5-iodophenoxy)-3,5-diiodophenyl]propanoic acid.
Chemical Property Profile of 3'-Bromo-3,5,5'-triiodothyronine
Property Insights of 3'-Bromo-3,5,5'-triiodothyronine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Bromo-3,5,5'-triiodothyronine. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Bromo-3,5,5'-triiodothyronine. Following Lipinski's Rule of Five, 3'-Bromo-3,5,5'-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 3'-Bromo-3,5,5'-triiodothyronine?
The CAS number of 3'-Bromo-3,5,5'-triiodothyronine is 77667-01-7.
What is the molecular formula of 3'-Bromo-3,5,5'-triiodothyronine?
The molecular formula of 3'-Bromo-3,5,5'-triiodothyronine is C15H11BrI3NO4.
What is the molecular weight of 3'-Bromo-3,5,5'-triiodothyronine?
The molecular weight of 3'-Bromo-3,5,5'-triiodothyronine is 728.70 g/mol.
Where can I buy 3'-Bromo-3,5,5'-triiodothyronine?
You can request a quote for 3'-Bromo-3,5,5'-triiodothyronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Bromo-3,5,5'-triiodothyronine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Bromo-3,5,5'-triiodothyronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.