A3249/0138060
TL;DR: A3249/0138060 (CAS 587849-80-7) is a chemical compound with molecular formula C23H22ClF3N2O2 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Also Known As: A3249/0138060, 3-(4-benzylpiperidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione, 3-(4-benzylpiperidin-1-yl)-1-(4-chloro-3-(trifluoromethyl)phenyl)pyrrolidine-2,5-dione, 3-(4-BENZYLPIPERIDINO)-1-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C23H22ClF3N2O2 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 4.9454 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.1322 |
| Heavy Atoms | 31 |
| Complexity | 972.53204 |
Chemical Identifiers
| CAS Number | 587849-80-7 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F |
Product Overview
A3249/0138060 (CAS 587849-80-7), with molecular formula C23H22ClF3N2O2 and molecular weight 450.13 g/mol. IUPAC: 3-(4-benzylpiperidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
Chemical Property Profile of A3249/0138060
Property Insights of A3249/0138060
The XLogP value of 4.9454 indicates that A3249/0138060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, A3249/0138060 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3249/0138060 has 0 hydrogen bond donor(s) and 3 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 A3249/0138060?
The CAS number of A3249/0138060 is 587849-80-7.
What is the molecular formula of A3249/0138060?
The molecular formula of A3249/0138060 is C23H22ClF3N2O2.
What is the molecular weight of A3249/0138060?
The molecular weight of A3249/0138060 is 450.13 g/mol.
Where can I buy A3249/0138060?
You can request a quote for A3249/0138060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3249/0138060?
Yes, KEHONG BIO provides custom synthesis services for A3249/0138060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.