TL;DR: (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate (CAS 1173686-18-4) is a chemical compound with molecular formula C30H25NO7S and molecular weight 543.1352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
Also Known As: (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
| Molecular Formula | C30H25NO7S |
| Molecular Weight | 543.1352 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.1352 Da |
| Heavy Atoms | 39 |
| Complexity | 951.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C5=C(C=C(C=C5)OC)C(=O)O4 |
| InChIKey | OXUCTGCTQCWWLJ-HHHXNRCGSA-N |
The XLogP value of 5.8 indicates that (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate. Following Lipinski's Rule of Five, (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate is 1173686-18-4.
The molecular formula of (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate is C30H25NO7S.
The molecular weight of (8-methoxy-6-oxobenzo[c]chromen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate is 543.1352 g/mol.
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