TL;DR: Benzyl 2-methyl-5-[(phenylsulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate (CAS 442553-88-0) is a chemical compound with molecular formula C27H21NO5S and molecular weight 471.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 5-(benzenesulfonamido)-2-methylbenzo[g][1]benzofuran-3-carboxylate
Also Known As: UPCMLD0ENAT0519-4864:001, benzyl 2-methyl-5-[(phenylsulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate, AQ-390/42425876, benzyl 2-methyl-5-(phenylsulfonamido)naphtho[1,2-b]furan-3-carboxylate, benzyl 5-benzenesulfonamido-2-methylnaphtho[1,2-b]furan-3-carboxylate
| Molecular Formula | C27H21NO5S |
| Molecular Weight | 471.11404 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.11404 Da |
| Heavy Atoms | 34 |
| Complexity | 798.0 |
| SMILES | CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5 |
| InChIKey | CWINOVWDYLJXJF-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Benzyl 2-methyl-5-[(phenylsulfonyl)amino]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-[(phenylsulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate. Following Lipinski's Rule of Five, Benzyl 2-methyl-5-[(phenylsulfonyl)amino]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-[(phenylsulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate is 442553-88-0.
The molecular formula of Benzyl 2-methyl-5-[(phenylsulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate is C27H21NO5S.
The molecular weight of Benzyl 2-methyl-5-[(phenylsulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate is 471.11404 g/mol.
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