TL;DR: (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212242-44-8) is a chemical compound with molecular formula C26H28ClNO6 and molecular weight 485.16052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chloro-6-oxobenzo[c]chromen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
Also Known As: (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate, (2-chloro-6-oxobenzo[c]chromen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate, 2-chloro-6-oxo-6H-benzo[c]chromen-3-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
| Molecular Formula | C26H28ClNO6 |
| Molecular Weight | 485.16052 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.16052 Da |
| Heavy Atoms | 34 |
| Complexity | 759.0 |
| SMILES | CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=C(C=C3C4=CC=CC=C4C(=O)OC3=C2)Cl |
| InChIKey | FBVMHQYLXVTJPK-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 1212242-44-8.
The molecular formula of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is C26H28ClNO6.
The molecular weight of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 485.16052 g/mol.
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