TL;DR: 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate (CAS 1005183-85-6) is a chemical compound with molecular formula C18H25NO5S and molecular weight 367.14536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) N-(4-methylphenyl)sulfonylcarbamate
Also Known As: 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate, (1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) N-(4-methylphenyl)sulfonylcarbamate, 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl N-(4-methylbenzenesulfonyl)carbamate, (4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) N-(p-tolylsulfonyl)carbamate, 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ylN-(4-methylbenzenesulfonyl)carbamate
| Molecular Formula | C18H25NO5S |
| Molecular Weight | 367.14536 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.14536 Da |
| Heavy Atoms | 25 |
| Complexity | 620.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC2CC3(CCC2(O3)C)C(C)C |
| InChIKey | VSSHUYCVSGSFPZ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate. Following Lipinski's Rule of Five, 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate is 1005183-85-6.
The molecular formula of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate is C18H25NO5S.
The molecular weight of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-[(4-methylphenyl)sulfonyl]carbamate is 367.14536 g/mol.
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