BAS 00212615
TL;DR: BAS 00212615 (CAS 299408-74-5) is a chemical compound with molecular formula C21H17ClF3N3O2 and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrole-2,5-dione
Also Known As: BAS 00212615, 1-(3-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrole-2,5-dione, 1-(3-chlorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1H-pyrrole-2,5-dione, 1-(3-chlorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1H-pyrrole-2,5-dione, 1-(3-chlorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazinyl}azoline-2,5-dio ne
| Molecular Formula | C21H17ClF3N3O2 |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 3.9381 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.09613 |
| Heavy Atoms | 30 |
| Complexity | 1030.1519 |
Chemical Identifiers
| CAS Number | 299408-74-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CC(=O)N(C3=O)C4=CC(=CC=C4)Cl |
Product Overview
BAS 00212615 (CAS 299408-74-5), with molecular formula C21H17ClF3N3O2 and molecular weight 435.10 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrole-2,5-dione.
Chemical Property Profile of BAS 00212615
Property Insights of BAS 00212615
The XLogP value of 3.9381 indicates that BAS 00212615 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 00212615 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00212615 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 00212615?
The CAS number of BAS 00212615 is 299408-74-5.
What is the molecular formula of BAS 00212615?
The molecular formula of BAS 00212615 is C21H17ClF3N3O2.
What is the molecular weight of BAS 00212615?
The molecular weight of BAS 00212615 is 435.10 g/mol.
Where can I buy BAS 00212615?
You can request a quote for BAS 00212615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00212615?
Yes, KEHONG BIO provides custom synthesis services for BAS 00212615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.