A3249/0138058
TL;DR: A3249/0138058 (CAS 587849-75-0) is a chemical compound with molecular formula C22H21ClF3N3O3 and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: A3249/0138058, 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione, 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-methoxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione
| Molecular Formula | C22H21ClF3N3O3 |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 3.8215 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.12234 |
| Heavy Atoms | 32 |
| Complexity | 1021.31647 |
Chemical Identifiers
| CAS Number | 587849-75-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F |
Product Overview
A3249/0138058 (CAS 587849-75-0), with molecular formula C22H21ClF3N3O3 and molecular weight 467.12 g/mol. IUPAC: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of A3249/0138058
Property Insights of A3249/0138058
The XLogP value of 3.8215 indicates that A3249/0138058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, A3249/0138058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3249/0138058 has 0 hydrogen bond donor(s) and 5 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 A3249/0138058?
The CAS number of A3249/0138058 is 587849-75-0.
What is the molecular formula of A3249/0138058?
The molecular formula of A3249/0138058 is C22H21ClF3N3O3.
What is the molecular weight of A3249/0138058?
The molecular weight of A3249/0138058 is 467.12 g/mol.
Where can I buy A3249/0138058?
You can request a quote for A3249/0138058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3249/0138058?
Yes, KEHONG BIO provides custom synthesis services for A3249/0138058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.