TL;DR: (1r,4r)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212309-32-4) is a chemical compound with molecular formula C30H29NO7 and molecular weight 515.1944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methoxy-6-oxobenzo[c]chromen-3-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Also Known As: (1r,4r)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate, (8-methoxy-6-oxobenzo[c]chromen-3-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
| Molecular Formula | C30H29NO7 |
| Molecular Weight | 515.1944 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.1944 Da |
| Heavy Atoms | 38 |
| Complexity | 819.0 |
| SMILES | COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC(=O)C4CCC(CC4)CNC(=O)OCC5=CC=CC=C5)OC2=O |
| InChIKey | XYCNLYQRSMYPOC-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that (1r,4r)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)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)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1r,4r)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 1212309-32-4.
The molecular formula of (1r,4r)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is C30H29NO7.
The molecular weight of (1r,4r)-8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 515.1944 g/mol.
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