BAS 00485128
TL;DR: BAS 00485128 (CAS 333398-46-2) is a chemical compound with molecular formula C27H32F3N3O3 and molecular weight 503.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hexoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: BAS 00485128, 1-[4-(hexyloxy)phenyl]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione, A0913/0042756, 1-(4-hexoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione, 1-(4-(hexyloxy)phenyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrrolidine-2,5-dione
| Molecular Formula | C27H32F3N3O3 |
|---|---|
| Molecular Weight | 503.24 g/mol |
| LogP | 5.1186 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.23956 |
| Heavy Atoms | 36 |
| Complexity | 1050.2197 |
Chemical Identifiers
| CAS Number | 333398-46-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00485128 (CAS 333398-46-2), with molecular formula C27H32F3N3O3 and molecular weight 503.24 g/mol. IUPAC: 1-(4-hexoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00485128
Property Insights of BAS 00485128
The XLogP value of 5.1186 indicates that BAS 00485128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, BAS 00485128 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00485128 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00485128?
The CAS number of BAS 00485128 is 333398-46-2.
What is the molecular formula of BAS 00485128?
The molecular formula of BAS 00485128 is C27H32F3N3O3.
What is the molecular weight of BAS 00485128?
The molecular weight of BAS 00485128 is 503.24 g/mol.
Where can I buy BAS 00485128?
You can request a quote for BAS 00485128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00485128?
Yes, KEHONG BIO provides custom synthesis services for BAS 00485128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.