TL;DR: (1r,4r)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212278-78-8) is a chemical compound with molecular formula C29H31NO6 and molecular weight 489.21515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Also Known As: (1r,4r)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate, (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate, 6-METHYL-4-OXO-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-7-YL 4-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)CYCLOHEXANE-1-CARBOXYLATE
| Molecular Formula | C29H31NO6 |
| Molecular Weight | 489.21515 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.21515 Da |
| Heavy Atoms | 36 |
| Complexity | 854.0 |
| SMILES | CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(=O)C4CCC(CC4)CNC(=O)OCC5=CC=CC=C5 |
| InChIKey | ZBNWDFJZWLYTJL-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that (1r,4r)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)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)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)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)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 1212278-78-8.
The molecular formula of (1r,4r)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is C29H31NO6.
The molecular weight of (1r,4r)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 489.21515 g/mol.
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