TL;DR: F0913-4318 (CAS 1005050-98-5) is a chemical compound with molecular formula C36H40N4O7S and molecular weight 672.2618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide
Also Known As: F0913-4318, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(((1R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methylsulfonamido)-4-(8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)benzamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamido)-4-{6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-yl}benzamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide, oxo-2-oxo-10-bornanyl[5-(N-2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0(2),]trideca-2,4-dien-11-yl)phenylamino]-lambda-sulfaniumolate
| Molecular Formula | C36H40N4O7S |
| Molecular Weight | 672.2618 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 672.2618 Da |
| Heavy Atoms | 48 |
| Complexity | 1510.0 |
| SMILES | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC5=C(C=C4)OCCO5)N6CC7CC(C6)C8=CC=CC(=O)N8C7)C |
| InChIKey | VSYDUNWHQFTDBF-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that F0913-4318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting F0913-4318 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0913-4318 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of F0913-4318 is 1005050-98-5.
The molecular formula of F0913-4318 is C36H40N4O7S.
The molecular weight of F0913-4318 is 672.2618 g/mol.
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