TL;DR: Poly(ctth-iminocarbonate) (CAS 106755-33-3) is a chemical compound with molecular formula C34H36N4O7 and molecular weight 612.2584 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl (2S)-3-(4-cyanatophenyl)-2-[[(2S)-3-(4-cyanatophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Also Known As: Poly(ctth-iminocarbonate), hexyl (2S)-3-(4-cyanatophenyl)-2-[[(2S)-3-(4-cyanatophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate, hexyl o-(azanylidynemethyl)-n-[(benzyloxy)carbonyl]-l-tyrosyl-o-cyano-l-tyrosinate, poly(oxyimidocarbonyloxy-p-phenylene(2-(hexyloxycarbonyl)ethylene)imino(2-(1-(benzyloxy)formamido)-1, (2S)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-(4-cyanatophenyl)-N-[(2S)-3-(4-cyanatophenyl)-1-(hexyloxy)-1-oxopropan-2-yl]propanimidic acid
| Molecular Formula | C34H36N4O7 |
| Molecular Weight | 612.2584 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 612.2584 Da |
| Heavy Atoms | 45 |
| Complexity | 999.0 |
| SMILES | CCCCCCOC(=O)[C@H](CC1=CC=C(C=C1)OC#N)NC(=O)[C@H](CC2=CC=C(C=C2)OC#N)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | LYIKEPUHFLJVIS-CONSDPRKSA-N |
The XLogP value of 7.1 indicates that Poly(ctth-iminocarbonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Poly(ctth-iminocarbonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Poly(ctth-iminocarbonate) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Poly(ctth-iminocarbonate) is 106755-33-3.
The molecular formula of Poly(ctth-iminocarbonate) is C34H36N4O7.
The molecular weight of Poly(ctth-iminocarbonate) is 612.2584 g/mol.
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