TL;DR: F1601-0258 (CAS 1321918-77-7) is a chemical compound with molecular formula C32H31N3O5 and molecular weight 537.2264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[[5-[(2-methoxyphenyl)carbamoyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene]amino]benzoate
Also Known As: F1601-0258, ethyl 3-{[(4Z)-5-[(2-methoxyphenyl)carbamoyl]-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraen-4-ylidene]amino}benzoate, ethyl 3-[((11Z)-10-{[(2-methoxyphenyl)amino]carbonyl}-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-ylidene)amino]benzoate, (Z)-ethyl 3-((10-((2-methoxyphenyl)carbamoyl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-ylidene)amino)benzoate, ETHYL 3-({10-[(2-METHOXYANILINO)CARBONYL]-2,3,6,7-TETRAHYDRO-1H,5H,11H-PYRANO[2,3-F]PYRIDO[3,2,1-IJ]QUINOLIN-11-YLIDEN}AMINO)BENZOATE
| Molecular Formula | C32H31N3O5 |
| Molecular Weight | 537.2264 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.2264 Da |
| Heavy Atoms | 40 |
| Complexity | 997.0 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)N=C2C(=CC3=CC4=C5C(=C3O2)CCCN5CCC4)C(=O)NC6=CC=CC=C6OC |
| InChIKey | VLLFHTSOLLWMJZ-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that F1601-0258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0258. Following Lipinski's Rule of Five, F1601-0258 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of F1601-0258 is 1321918-77-7.
The molecular formula of F1601-0258 is C32H31N3O5.
The molecular weight of F1601-0258 is 537.2264 g/mol.
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