TL;DR: EINECS 263-823-6 (CAS 63059-53-0) is a chemical compound with molecular formula C38H48N2O7 and molecular weight 644.3461 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-3-(2-methoxyanilino)-1,3-dioxopropan-2-yl] acetate
Also Known As: KST-1B6817, N-294, Benzenepropanamide, alpha-(acetyloxy)-3-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-N-(2-methoxyphenyl)-beta-oxo-, 1-[3-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)phenyl]-3-[(2-methoxyphenyl)amino]-1,3-dioxopropan-2-yl acetate, Benzenepropanamide, .alpha.-(acetyloxy)-3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-N-(2-methoxyphenyl)-.beta.-oxo-
| Molecular Formula | C38H48N2O7 |
| Molecular Weight | 644.3461 g/mol |
| XLogP | 9.4 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 644.3461 Da |
| Heavy Atoms | 47 |
| Complexity | 1060.0 |
| SMILES | CCC(C(=O)NC1=CC=CC(=C1)C(=O)C(C(=O)NC2=CC=CC=C2OC)OC(=O)C)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC |
| InChIKey | OPZPPMXBESQJPI-UHFFFAOYSA-N |
The XLogP value of 9.4 indicates that EINECS 263-823-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 263-823-6. Following Lipinski's Rule of Five, EINECS 263-823-6 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of EINECS 263-823-6 is 63059-53-0.
The molecular formula of EINECS 263-823-6 is C38H48N2O7.
The molecular weight of EINECS 263-823-6 is 644.3461 g/mol.
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