TL;DR: DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester (CAS 118123-22-1) is a chemical compound with molecular formula C24H38N2O6 and molecular weight 450.27298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-(dodecanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate
Also Known As: DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester, O-Methyl-3-nitro-N-(1-oxododecyl)-DL-tyrosine ethyl ester, Ethyl N-dodecanoyl-O-methyl-3-nitro-L-tyrosinate, ethyl (2S)-2-(dodecanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate
| Molecular Formula | C24H38N2O6 |
| Molecular Weight | 450.27298 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 450.27298 Da |
| Heavy Atoms | 32 |
| Complexity | 551.0 |
| SMILES | CCCCCCCCCCCC(=O)N[C@@H](CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC |
| InChIKey | GCVSKYRTKSPCEN-FQEVSTJZSA-N |
The XLogP value of 6.8 indicates that DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester. Following Lipinski's Rule of Five, DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester is 118123-22-1.
The molecular formula of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester is C24H38N2O6.
The molecular weight of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxododecyl)-, ethyl ester is 450.27298 g/mol.
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