TL;DR: 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 1396988-36-5) is a chemical compound with molecular formula C26H35NO6 and molecular weight 457.24643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-hexyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate, (8-hexyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C26H35NO6 |
| Molecular Weight | 457.24643 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 457.24643 Da |
| Heavy Atoms | 33 |
| Complexity | 767.0 |
| SMILES | CCCCCCC1=CC2=C(C=C1OC(=O)C(C)NC(=O)OC(C)(C)C)OC(=O)C3=C2CCC3 |
| InChIKey | KEYVZJADIJPFNV-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate 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 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 1396988-36-5.
The molecular formula of 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is C26H35NO6.
The molecular weight of 8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 457.24643 g/mol.
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