BR 84
TL;DR: BR 84 (CAS 100739-57-9) is a chemical compound with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C22H34N2O3 |
|---|---|
| Molecular Weight | 374.26 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.25696 |
| Heavy Atoms | 27 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 100739-57-9 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCCCCC2)C(=O)OCC |
| InChIKey | WKFDHVSCSSVMOH-UHFFFAOYSA-N |
Product Overview
BR 84 (CAS 100739-57-9), with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol. IUPAC: ethyl 2-[2-(azocan-1-yl)ethylcarbamoyl]-2-phenylbutanoate.
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
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 374.26 g/mol.
Where can I buy BR 84?
You can request a quote for BR 84 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BR 84?
Yes, KEHONG BIO provides custom synthesis services for BR 84 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.