BR 84
TL;DR: BR 84 (CAS 100739-57-9) is a chemical compound with molecular formula C22H34N2O3 and molecular weight 374.25696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
BR-84
ethyl 2-[2-(azocan-1-yl)ethylcarbamoyl]-2-phenylbutanoate
Also Known As: BR 84, ethyl 2-[2-(azocan-1-yl)ethylcarbamoyl]-2-phenylbutanoate, (+/-) methyl 3-(triphenylstannyl)propanoate, 5-20-04-00162 (Beilstein Handbook Reference), ethyl 2-{[2-(azocan-1-yl)ethyl]carbamoyl}-2-phenylbutanoate
Technical Specifications
| Molecular Formula | C22H34N2O3 |
| Molecular Weight | 374.25696 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.25696 Da |
| Heavy Atoms | 27 |
| Complexity | 454.0 |
| SMILES | CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCCCCC2)C(=O)OCC |
| InChIKey | WKFDHVSCSSVMOH-UHFFFAOYSA-N |
Chemical Property Profile of BR 84
Property Insights of BR 84
The XLogP value of 4.1 indicates that BR 84 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, BR 84 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BR 84 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BR 84?
The CAS number of BR 84 is 100739-57-9.
What is the molecular formula of BR 84?
The molecular formula of BR 84 is C22H34N2O3.
What is the molecular weight of BR 84?
The molecular weight of BR 84 is 374.25696 g/mol.
Where can I buy BR 84?
You can request a quote for BR 84 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BR 84?
Yes, CoreyChem provides custom synthesis services for BR 84 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.