TL;DR: 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan (CAS 131829-26-0) is a chemical compound with molecular formula C24H26N2O6 and molecular weight 438.17908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
Also Known As: Z-D-Trp(Boc)-OH, Z-L-Trp(Boc)-OH, 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan, (2R)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid, 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
| Molecular Formula | C24H26N2O6 |
| Molecular Weight | 438.17908 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.17908 Da |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
| SMILES | CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | JCSZSNGHUWGACF-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan. Following Lipinski's Rule of Five, 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan is 131829-26-0.
The molecular formula of 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan is C24H26N2O6.
The molecular weight of 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(phenylmethoxy)carbonyl]-D-tryptophan is 438.17908 g/mol.
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