TL;DR: 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (CAS 1396987-92-0) is a chemical compound with molecular formula C32H31NO6 and molecular weight 525.21515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-oxo-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate, (4-oxo-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
| Molecular Formula | C32H31NO6 |
| Molecular Weight | 525.21515 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 525.21515 Da |
| Heavy Atoms | 39 |
| Complexity | 902.0 |
| SMILES | CCCC1=CC2=C(C=C1OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC(=O)C5=C2CCC5 |
| InChIKey | MQHFLDQXEJXHBR-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate 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 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 1396987-92-0.
The molecular formula of 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is C32H31NO6.
The molecular weight of 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 525.21515 g/mol.
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