BAS 00212618
TL;DR: BAS 00212618 (CAS 299408-76-7) is a chemical compound with molecular formula C21H19ClF3N3O2 and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: BAS 00212618, 1-(4-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione, 1-(4-chlorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2,5-pyrrolidinedione, 1-(4-chlorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrrolidine-2,5-dione, 1-(4-chlorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
| Molecular Formula | C21H19ClF3N3O2 |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 3.8129 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.1118 |
| Heavy Atoms | 30 |
| Complexity | 956.7141 |
Chemical Identifiers
| CAS Number | 299408-76-7 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00212618 (CAS 299408-76-7), with molecular formula C21H19ClF3N3O2 and molecular weight 437.11 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00212618
Property Insights of BAS 00212618
The XLogP value of 3.8129 indicates that BAS 00212618 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 00212618 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00212618 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 00212618?
The CAS number of BAS 00212618 is 299408-76-7.
What is the molecular formula of BAS 00212618?
The molecular formula of BAS 00212618 is C21H19ClF3N3O2.
What is the molecular weight of BAS 00212618?
The molecular weight of BAS 00212618 is 437.11 g/mol.
Where can I buy BAS 00212618?
You can request a quote for BAS 00212618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00212618?
Yes, KEHONG BIO provides custom synthesis services for BAS 00212618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.