TL;DR: Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2) (CAS 163633-45-2) is a chemical compound with molecular formula C24H26N4O11 and molecular weight 546.1598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[3-hydroxy-1-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Also Known As: Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2), 4-nitrophenyl 8-(hydroxymethyl)-5-(2-methoxy-2-oxoethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate(non-preferred name), 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(1,3-dihydroxy-1-{[2-(4-nitrophenoxy)-2-oxoethyl]imino}propan-2-yl)-4-methoxy-4-oxobutanimidic acid, 3-Benzyloxycarbonylamino-N-{2-hydroxy-1-[(4-nitro-phenoxycarbonylmethyl)-carbamoyl]-ethyl}-succinamic acid methyl ester, methyl 3-(benzyloxycarbonylamino)-4-[[1-(hydroxymethyl)-2-[[2-(4-nitrophenoxy)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoate
| Molecular Formula | C24H26N4O11 |
| Molecular Weight | 546.1598 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 215.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 546.1598 Da |
| Heavy Atoms | 39 |
| Complexity | 865.0 |
| SMILES | COC(=O)CC(C(=O)NC(CO)C(=O)NCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2 |
| InChIKey | TZICYCJVZHSMMV-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2). The TPSA of 215.0 Ų indicates high polarity, suggesting Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2) has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2) is 163633-45-2.
The molecular formula of Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2) is C24H26N4O11.
The molecular weight of Cbz-DL-Asp(OMe)-DL-Ser-Gly-OPh(4-NO2) is 546.1598 g/mol.
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