TL;DR: F1601-0166 (CAS 1321931-61-6) is a chemical compound with molecular formula C30H27F2N3O4 and molecular weight 531.19696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,4-difluorophenyl)imino-N-(3,4-dimethoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
Also Known As: F1601-0166, (4Z)-4-[(3,4-difluorophenyl)imino]-N-(3,4-dimethoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide, (Z)-11-((3,4-difluorophenyl)imino)-N-(3,4-dimethoxyphenyl)-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide, (11Z)-11-[(3,4-difluorophenyl)imino]-N-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide, 4-(3,4-difluorophenyl)imino-N-(3,4-dimethoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
| Molecular Formula | C30H27F2N3O4 |
| Molecular Weight | 531.19696 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.19696 Da |
| Heavy Atoms | 39 |
| Complexity | 962.0 |
| SMILES | COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC4=C5C(=C3OC2=NC6=CC(=C(C=C6)F)F)CCCN5CCC4)OC |
| InChIKey | WROBQJQZZHVNKR-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that F1601-0166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0166. Following Lipinski's Rule of Five, F1601-0166 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of F1601-0166 is 1321931-61-6.
The molecular formula of F1601-0166 is C30H27F2N3O4.
The molecular weight of F1601-0166 is 531.19696 g/mol.
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