BR 83
TL;DR: BR 83 (CAS 96064-46-9) is a chemical compound with molecular formula C21H32N2O3 and molecular weight 360.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenylbutanoate
Also Known As: BR 83, 5-20-04-00042 (Beilstein Handbook Reference), 2-Ethyl-N-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-malonamic acid ethyl ester, Malonamic acid, 2-ethyl-N-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-, ethyl ester, ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenylbutanoate
| Molecular Formula | C21H32N2O3 |
|---|---|
| Molecular Weight | 360.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.2413 |
| Heavy Atoms | 26 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 96064-46-9 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCCCC2)C(=O)OCC |
| InChIKey | ODOFRNAMDGQWDQ-UHFFFAOYSA-N |
Product Overview
BR 83 (CAS 96064-46-9), with molecular formula C21H32N2O3 and molecular weight 360.24 g/mol. IUPAC: ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenylbutanoate.
Chemical Property Profile of BR 83
Property Insights of BR 83
The XLogP value of 3.6 indicates that BR 83 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 83 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BR 83 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 83?
The CAS number of BR 83 is 96064-46-9.
What is the molecular formula of BR 83?
The molecular formula of BR 83 is C21H32N2O3.
What is the molecular weight of BR 83?
The molecular weight of BR 83 is 360.24 g/mol.
Where can I buy BR 83?
You can request a quote for BR 83 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BR 83?
Yes, KEHONG BIO provides custom synthesis services for BR 83 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.