TL;DR: Sgd 231-74 (CAS 57081-41-1) is a chemical compound with molecular formula C26H27ClN4O5 and molecular weight 510.167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
Also Known As: Sgd 231-74, Propanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester, 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-{4-[(4-chlorophenyl)methyl]phenoxy}-2-methylpropanoate, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate, BRN 1197166
| Molecular Formula | C26H27ClN4O5 |
| Molecular Weight | 510.167 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.167 Da |
| Heavy Atoms | 36 |
| Complexity | 810.0 |
| SMILES | CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)CC4=CC=C(C=C4)Cl |
| InChIKey | MNVKFWCPYQDOKH-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Sgd 231-74 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sgd 231-74. Following Lipinski's Rule of Five, Sgd 231-74 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sgd 231-74 is 57081-41-1.
The molecular formula of Sgd 231-74 is C26H27ClN4O5.
The molecular weight of Sgd 231-74 is 510.167 g/mol.
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