TL;DR: 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate (CAS 1008055-81-9) is a chemical compound with molecular formula C31H31NO6S and molecular weight 545.1872 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) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
Also Known As: 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate, (4-oxo-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate, 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate [M+H]+, 4-OXO-8-PROPYL-1,2,3,4-TETRAHYDROCYCLOPENTA[C]CHROMEN-7-YL 2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-3-PHENYLPROPANOATE
| Molecular Formula | C31H31NO6S |
| Molecular Weight | 545.1872 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.1872 Da |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
| SMILES | CCCC1=CC2=C(C=C1OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)OC(=O)C5=C2CCC5 |
| InChIKey | BPKLDKRUGJQLGK-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 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-(4-methylphenylsulfonamido)-3-phenylpropanoate. Following Lipinski's Rule of Five, 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate has 1 hydrogen bond donor(s) and 7 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-(4-methylphenylsulfonamido)-3-phenylpropanoate is 1008055-81-9.
The molecular formula of 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate is C31H31NO6S.
The molecular weight of 4-oxo-8-propyl-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate is 545.1872 g/mol.
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