TL;DR: (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212222-56-4) is a chemical compound with molecular formula C27H35NO7 and molecular weight 485.24136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
Also Known As: (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate, (3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate, 3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
| Molecular Formula | C27H35NO7 |
| Molecular Weight | 485.24136 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.24136 Da |
| Heavy Atoms | 35 |
| Complexity | 837.0 |
| SMILES | CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=C(C=C3C(=C2)C4=C(CCCC4)C(=O)O3)OC |
| InChIKey | ITVKUFGXLGHWNQ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 1212222-56-4.
The molecular formula of (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is C27H35NO7.
The molecular weight of (1r,4r)-3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 485.24136 g/mol.
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