TL;DR: Qtcvmfmwhtvjtq-lnjgeebysa- (CAS 114915-14-9) is a chemical compound with molecular formula C49H55Cl6NO18 and molecular weight 1155.155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Docetaxel Impurity 11, Docetaxel Impurity 20, 7,10-o-ditroc docetaxel, intermediate for Docetaxel, QTCVMFMWHTVJTQ-LNJGEEBYSA-
| Molecular Formula | C49H55Cl6NO18 |
| Molecular Weight | 1155.155 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 255.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Exact Mass | 1155.155 Da |
| Heavy Atoms | 74 |
| Complexity | 2180.0 |
| SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | QTCVMFMWHTVJTQ-LNJGEEBYSA-N |
The XLogP value of 7.3 indicates that Qtcvmfmwhtvjtq-lnjgeebysa- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting Qtcvmfmwhtvjtq-lnjgeebysa- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Qtcvmfmwhtvjtq-lnjgeebysa- has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Qtcvmfmwhtvjtq-lnjgeebysa- is 114915-14-9.
The molecular formula of Qtcvmfmwhtvjtq-lnjgeebysa- is C49H55Cl6NO18.
The molecular weight of Qtcvmfmwhtvjtq-lnjgeebysa- is 1155.155 g/mol.
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