C18H13F3N2O2
TL;DR: C18H13F3N2O2 (CAS 1173680-17-5) is a chemical compound with molecular formula C18H13F3N2O2 and molecular weight 346.09293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10aS)-2-[2-(trifluoromethyl)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
Also Known As: (10aS)-2-[2-(trifluoromethyl)phenyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione, (S)-2-(2-(trifluoromethyl)phenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Technical Specifications
| Molecular Formula | C18H13F3N2O2 |
| Molecular Weight | 346.09293 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.09293 Da |
| Heavy Atoms | 25 |
| Complexity | 565.0 |
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)C4=CC=CC=C4C(F)(F)F |
| InChIKey | PUYFCFPXHCUXLN-HNNXBMFYSA-N |
Chemical Property Profile of C18H13F3N2O2
Property Insights of C18H13F3N2O2
The XLogP value of 3.3 indicates that C18H13F3N2O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, C18H13F3N2O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H13F3N2O2 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
What is the CAS number of C18H13F3N2O2?
The CAS number of C18H13F3N2O2 is 1173680-17-5.
What is the molecular formula of C18H13F3N2O2?
The molecular formula of C18H13F3N2O2 is C18H13F3N2O2.
What is the molecular weight of C18H13F3N2O2?
The molecular weight of C18H13F3N2O2 is 346.09293 g/mol.
Where can I buy C18H13F3N2O2?
You can request a quote for C18H13F3N2O2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H13F3N2O2?
Yes, CoreyChem provides custom synthesis services for C18H13F3N2O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.