TL;DR: (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate (CAS 1173688-35-1) is a chemical compound with molecular formula C26H29NO6S and molecular weight 483.17157 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) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
Also Known As: (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate, (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate, 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
| Molecular Formula | C26H29NO6S |
| Molecular Weight | 483.17157 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.17157 Da |
| Heavy Atoms | 34 |
| Complexity | 914.0 |
| SMILES | CC[C@@H](C)[C@@H](C(=O)OC1=C(C2=C(C=C1)C3=C(CCC3)C(=O)O2)C)NS(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | KNZVLUOZEKTOIU-MWTRTKDXSA-N |
The XLogP value of 5.2 indicates that (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate 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 (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate. Following Lipinski's Rule of Five, (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate is 1173688-35-1.
The molecular formula of (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate is C26H29NO6S.
The molecular weight of (2S,3R)-6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate is 483.17157 g/mol.
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