TL;DR: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate (CAS 1396966-06-5) is a chemical compound with molecular formula C25H27NO6S and molecular weight 469.1559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate
Also Known As: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate, 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(4-methylphenyl)sulfonyl]norleucinate, (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate, 2-(Toluene-4-sulfonylamino)-hexanoic acid 4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-7-yl ester, 7-oxo-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),10,12-tetraen-11-yl 2-[(4-methylbenzene)sulfonamido]hexanoate
| Molecular Formula | C25H27NO6S |
| Molecular Weight | 469.1559 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.1559 Da |
| Heavy Atoms | 33 |
| Complexity | 868.0 |
| SMILES | CCCCC(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | MBCURDRBKZMRHT-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate 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-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate. Following Lipinski's Rule of Five, 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate is 1396966-06-5.
The molecular formula of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate is C25H27NO6S.
The molecular weight of 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(4-methylphenylsulfonamido)hexanoate is 469.1559 g/mol.
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