TL;DR: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate (CAS 1173687-84-7) is a chemical compound with molecular formula C32H30N2O6S and molecular weight 570.18243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate, (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 3-(1H-indol-3-yl)-2-(4-methylphenylsulfonamido)propanoate, 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl N-[(4-methylphenyl)sulfonyl]-L-tryptophanate
| Molecular Formula | C32H30N2O6S |
| Molecular Weight | 570.18243 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 570.18243 Da |
| Heavy Atoms | 41 |
| Complexity | 1120.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC4=CC(=CC5=C4C6=C(CCCC6)C(=O)O5)C |
| InChIKey | MUXKGRBBGMJPCA-MHZLTWQESA-N |
The XLogP value of 6.1 indicates that (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate. Following Lipinski's Rule of Five, (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is 1173687-84-7.
The molecular formula of (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is C32H30N2O6S.
The molecular weight of (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is 570.18243 g/mol.
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