C33H22F2N2O4
TL;DR: C33H22F2N2O4 (CAS 1022411-99-9) is a chemical compound with molecular formula C33H22F2N2O4 and molecular weight 548.1548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-benzyl-4,9-bis(4-fluorophenyl)-4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-3,5,8,10-tetrone
Also Known As: 3a-benzyl-2,5-bis(4-fluorophenyl)-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone, 3a-benzyl-2,5-bis(4-fluorophenyl)-6a,10b-dihydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,3aH,3bH,5H)-tetraone, C33H22F2N2O4
Technical Specifications
| Molecular Formula | C33H22F2N2O4 |
| Molecular Weight | 548.1548 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.1548 Da |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
| SMILES | C1=CC=C(C=C1)CC23C4C(C5=CC=CC=C5C2C(=O)N(C3=O)C6=CC=C(C=C6)F)C(=O)N(C4=O)C7=CC=C(C=C7)F |
| InChIKey | OSNMHAYXNHRXMD-UHFFFAOYSA-N |
Chemical Property Profile of C33H22F2N2O4
Property Insights of C33H22F2N2O4
The XLogP value of 4.7 indicates that C33H22F2N2O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C33H22F2N2O4. Following Lipinski's Rule of Five, C33H22F2N2O4 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C33H22F2N2O4?
The CAS number of C33H22F2N2O4 is 1022411-99-9.
What is the molecular formula of C33H22F2N2O4?
The molecular formula of C33H22F2N2O4 is C33H22F2N2O4.
What is the molecular weight of C33H22F2N2O4?
The molecular weight of C33H22F2N2O4 is 548.1548 g/mol.
Where can I buy C33H22F2N2O4?
You can request a quote for C33H22F2N2O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C33H22F2N2O4?
Yes, CoreyChem provides custom synthesis services for C33H22F2N2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.