BAS 00212616
TL;DR: BAS 00212616 (CAS 299408-75-6) is a chemical compound with molecular formula C21H19BrF3N3O2 and molecular weight 481.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: BAS 00212616, 1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione, 1-(4-bromophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione, 1-(4-bromophenyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrrolidine-2,5-dione, 1-(4-bromophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazinyl}azolidine-2,5-di one
| Molecular Formula | C21H19BrF3N3O2 |
|---|---|
| Molecular Weight | 481.06 g/mol |
| LogP | 3.922 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.06128 |
| Heavy Atoms | 30 |
| Complexity | 956.7141 |
Chemical Identifiers
| CAS Number | 299408-75-6 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00212616 (CAS 299408-75-6), with molecular formula C21H19BrF3N3O2 and molecular weight 481.06 g/mol. IUPAC: 1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00212616
Property Insights of BAS 00212616
The XLogP value of 3.922 indicates that BAS 00212616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, BAS 00212616 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00212616 has 0 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 BAS 00212616?
The CAS number of BAS 00212616 is 299408-75-6.
What is the molecular formula of BAS 00212616?
The molecular formula of BAS 00212616 is C21H19BrF3N3O2.
What is the molecular weight of BAS 00212616?
The molecular weight of BAS 00212616 is 481.06 g/mol.
Where can I buy BAS 00212616?
You can request a quote for BAS 00212616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00212616?
Yes, KEHONG BIO provides custom synthesis services for BAS 00212616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.