3,5-Dibromo-3'-isopropylthyronine
TL;DR: 3,5-Dibromo-3'-isopropylthyronine (CAS 13724-89-5) is a chemical compound with molecular formula C18H19Br2NO4 and molecular weight 470.96808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
Also Known As: Dibit compound, 3,5-Dibromo-3'-isopropylthyronine, 3,5-Dibromo-3'-isopropyl-L-thyronine, 3,5-Dibromo-3 -isopropyl-L-thyronine, 3-(2-Carboxy-aethylmercapto)-rifamycin SV
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H19Br2NO4 |
| Molecular Weight | 470.96808 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.96808 Da |
| Heavy Atoms | 25 |
| Complexity | 439.0 |
| SMILES | CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C[C@@H](C(=O)O)N)Br)O |
| InChIKey | QHTXRRJVXYEVLD-HNNXBMFYSA-N |
Chemical Property Profile of 3,5-Dibromo-3'-isopropylthyronine
Property Insights of 3,5-Dibromo-3'-isopropylthyronine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-3'-isopropylthyronine. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-3'-isopropylthyronine. Following Lipinski's Rule of Five, 3,5-Dibromo-3'-isopropylthyronine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Dibromo-3'-isopropylthyronine?
The CAS number of 3,5-Dibromo-3'-isopropylthyronine is 13724-89-5.
What is the molecular formula of 3,5-Dibromo-3'-isopropylthyronine?
The molecular formula of 3,5-Dibromo-3'-isopropylthyronine is C18H19Br2NO4.
What is the molecular weight of 3,5-Dibromo-3'-isopropylthyronine?
The molecular weight of 3,5-Dibromo-3'-isopropylthyronine is 470.96808 g/mol.
Where can I buy 3,5-Dibromo-3'-isopropylthyronine?
You can request a quote for 3,5-Dibromo-3'-isopropylthyronine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dibromo-3'-isopropylthyronine?
Yes, CoreyChem provides custom synthesis services for 3,5-Dibromo-3'-isopropylthyronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.