A2971/0125210
TL;DR: A2971/0125210 (CAS 522637-75-8) is a chemical compound with molecular formula C22H21F3N4O4 and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: A2971/0125210, 1-(3-methylphenyl)-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione, 1-(3-methylphenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione, 3-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)-1-(m-tolyl)pyrrolidine-2,5-dione
| Molecular Formula | C22H21F3N4O4 |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 3.37612 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.1515 |
| Heavy Atoms | 33 |
| Complexity | 1113.06 |
Chemical Identifiers
| CAS Number | 522637-75-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-] |
Product Overview
A2971/0125210 (CAS 522637-75-8), with molecular formula C22H21F3N4O4 and molecular weight 462.15 g/mol. IUPAC: 1-(3-methylphenyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of A2971/0125210
Property Insights of A2971/0125210
The XLogP value of 3.37612 indicates that A2971/0125210 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2971/0125210. Following Lipinski's Rule of Five, A2971/0125210 has 0 hydrogen bond donor(s) and 6 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 A2971/0125210?
The CAS number of A2971/0125210 is 522637-75-8.
What is the molecular formula of A2971/0125210?
The molecular formula of A2971/0125210 is C22H21F3N4O4.
What is the molecular weight of A2971/0125210?
The molecular weight of A2971/0125210 is 462.15 g/mol.
Where can I buy A2971/0125210?
You can request a quote for A2971/0125210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2971/0125210?
Yes, KEHONG BIO provides custom synthesis services for A2971/0125210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.