BAS 05590812
TL;DR: BAS 05590812 (CAS 511515-45-0) is a chemical compound with molecular formula C20H17F3N2O2 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Also Known As: BAS 05590812, 3-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione, AJ-292/41685649, 3-(2-1,2,3,4-tetrahydroisoquinolyl)-1-[3-(trifluoromethyl)phenyl]azolidine-2,5 -dione, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
| Molecular Formula | C20H17F3N2O2 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 3.3956 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.1242 |
| Heavy Atoms | 27 |
| Complexity | 910.095 |
Chemical Identifiers
| CAS Number | 511515-45-0 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 05590812 (CAS 511515-45-0), with molecular formula C20H17F3N2O2 and molecular weight 374.12 g/mol. IUPAC: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 05590812
Property Insights of BAS 05590812
The XLogP value of 3.3956 indicates that BAS 05590812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, BAS 05590812 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05590812 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 BAS 05590812?
The CAS number of BAS 05590812 is 511515-45-0.
What is the molecular formula of BAS 05590812?
The molecular formula of BAS 05590812 is C20H17F3N2O2.
What is the molecular weight of BAS 05590812?
The molecular weight of BAS 05590812 is 374.12 g/mol.
Where can I buy BAS 05590812?
You can request a quote for BAS 05590812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05590812?
Yes, KEHONG BIO provides custom synthesis services for BAS 05590812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.