TL;DR: (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate (CAS 1173688-30-6) is a chemical compound with molecular formula C27H27NO6S and molecular weight 493.1559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
Also Known As: (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
| Molecular Formula | C27H27NO6S |
| Molecular Weight | 493.1559 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.1559 Da |
| Heavy Atoms | 35 |
| Complexity | 861.0 |
| SMILES | CC[C@@H](C)[C@H](C(=O)OC1=C(C2=C(C=C1)C3=CC=CC=C3C(=O)O2)C)NS(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | XHGOLVBCJCMCNG-MZNJEOGPSA-N |
The XLogP value of 5.9 indicates that (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]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 (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate. Following Lipinski's Rule of Five, (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate is 1173688-30-6.
The molecular formula of (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate is C27H27NO6S.
The molecular weight of (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate is 493.1559 g/mol.
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