3R-0826
TL;DR: 3R-0826 (CAS 478041-09-7) is a chemical compound with molecular formula C20H17BrN2O4 and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]acetate
Also Known As: 3R-0826, ethyl 2-{4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-3,4-dihydro-2-quinoxalinyl}acetate, ethyl 2-[4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]acetate, ethyl 2-{4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}acetate, Ethyl 2-[4-[2-(4-bromophenyl)-2-oxo-ethyl]-3-oxo-quinoxalin-2-yl]acetate
| Molecular Formula | C20H17BrN2O4 |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 3.1475 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.03717 |
| Heavy Atoms | 27 |
| Complexity | 1057.7599 |
Chemical Identifiers
| CAS Number | 478041-09-7 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=CC=CC=C2N(C1=O)CC(=O)C3=CC=C(C=C3)Br |
Product Overview
3R-0826 (CAS 478041-09-7), with molecular formula C20H17BrN2O4 and molecular weight 428.04 g/mol. IUPAC: ethyl 2-[4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]acetate.
Chemical Property Profile of 3R-0826
Property Insights of 3R-0826
The XLogP value of 3.1475 indicates that 3R-0826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3R-0826. Following Lipinski's Rule of Five, 3R-0826 has 0 hydrogen bond donor(s) and 5 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 3R-0826?
The CAS number of 3R-0826 is 478041-09-7.
What is the molecular formula of 3R-0826?
The molecular formula of 3R-0826 is C20H17BrN2O4.
What is the molecular weight of 3R-0826?
The molecular weight of 3R-0826 is 428.04 g/mol.
Where can I buy 3R-0826?
You can request a quote for 3R-0826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-0826?
Yes, KEHONG BIO provides custom synthesis services for 3R-0826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.