TL;DR: 6-oxo-6H-benzo[c]chromen-3-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate (CAS 1212252-82-8) is a chemical compound with molecular formula C26H29NO6 and molecular weight 451.1995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-oxobenzo[c]chromen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
Also Known As: 6-oxo-6H-benzo[c]chromen-3-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate, (1r,4r)-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate, (6-oxobenzo[c]chromen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
| Molecular Formula | C26H29NO6 |
| Molecular Weight | 451.1995 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.1995 Da |
| Heavy Atoms | 33 |
| Complexity | 723.0 |
| SMILES | CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3 |
| InChIKey | VZIGTKHTWHCUIU-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 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 6-oxo-6H-benzo[c]chromen-3-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate. Following Lipinski's Rule of Five, 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-oxo-6H-benzo[c]chromen-3-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate is 1212252-82-8.
The molecular formula of 6-oxo-6H-benzo[c]chromen-3-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate is C26H29NO6.
The molecular weight of 6-oxo-6H-benzo[c]chromen-3-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate is 451.1995 g/mol.
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