TL;DR: benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate (CAS 442553-92-6) is a chemical compound with molecular formula C30H27NO5S and molecular weight 513.161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
Also Known As: benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate, F1113-0763, benzyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate, benzyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-methylnaphtho[1,2-b]furan-3-carboxylate, benzyl 5-(4-isopropylphenylsulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate
| Molecular Formula | C30H27NO5S |
| Molecular Weight | 513.161 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.161 Da |
| Heavy Atoms | 37 |
| Complexity | 871.0 |
| SMILES | CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(C)C)C(=O)OCC5=CC=CC=C5 |
| InChIKey | UZQRFNIBFDNEAY-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate. Following Lipinski's Rule of Five, benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate is 442553-92-6.
The molecular formula of benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate is C30H27NO5S.
The molecular weight of benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate is 513.161 g/mol.
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