![9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione structure](/static/products/1212/1212169-16-8.webp)
9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione
TL;DR: 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione (CAS 1212169-16-8) is a chemical compound with molecular formula C25H18F2N2O3S2 and molecular weight 496.0727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
Also Known As: 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione, 3,14-bis(4-fluorophenyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10>.0<4,8>. 0<12,16>]heptadec-4(8)-ene-6,13,15-trione
Technical Specifications
| Molecular Formula | C25H18F2N2O3S2 |
| Molecular Weight | 496.0727 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 496.0727 Da |
| Heavy Atoms | 34 |
| Complexity | 975.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)C5=CC=C(C=C5)F)SC6=C(C3C7=CC=C(C=C7)F)SC(=O)N6 |
| InChIKey | NVFRQJXBFCSRFQ-UHFFFAOYSA-N |
Chemical Property Profile of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione
Property Insights of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione
The XLogP value of 4.0 indicates that 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione. Following Lipinski's Rule of Five, 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione?
The CAS number of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione is 1212169-16-8.
What is the molecular formula of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione?
The molecular formula of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione is C25H18F2N2O3S2.
What is the molecular weight of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione?
The molecular weight of 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione is 496.0727 g/mol.
Where can I buy 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione?
You can request a quote for 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione?
Yes, CoreyChem provides custom synthesis services for 9,14-bis(4-fluorophenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.