TL;DR: L-749329 (CAS 159590-37-1) is a chemical compound with molecular formula C28H29NO8S and molecular weight 539.1614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoic acid
Also Known As: L-749329, L-754142, 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoic acid, 4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-, 3',4'-methylenedioxy-1-(2-propyl-4-carboxyphenoxy)-N-(4-isopropylphenylsulfonyl)benzene acetamide
| Molecular Formula | C28H29NO8S |
| Molecular Weight | 539.1614 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 539.1614 Da |
| Heavy Atoms | 38 |
| Complexity | 910.0 |
| SMILES | CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C |
| InChIKey | JPPYWKVKLSBQJM-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that L-749329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-749329. Following Lipinski's Rule of Five, L-749329 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-749329 is 159590-37-1.
The molecular formula of L-749329 is C28H29NO8S.
The molecular weight of L-749329 is 539.1614 g/mol.
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