TL;DR: 3'-(4-Azidobenzamido)taxol (CAS 153695-25-1) is a chemical compound with molecular formula C47H50N4O14 and molecular weight 894.33234 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)-4,12-diacetyloxy-15-[(2R,3S)-3-[(4-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Azidotaxol, Azb-taxol, (+)-Cephalostatin II, 3'-(4-Azidobenzamido)taxol, N-(4-Azidobenzoyl)-N-debenzoyltaxol
| Molecular Formula | C47H50N4O14 |
| Molecular Weight | 894.33234 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 236.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 894.33234 Da |
| Heavy Atoms | 65 |
| Complexity | 1970.0 |
| 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)C6=CC=C(C=C6)N=[N+]=[N-])O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | GVICBXRQYJAMJC-MZXODVADSA-N |
The XLogP value of 3.4 indicates that 3'-(4-Azidobenzamido)taxol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting 3'-(4-Azidobenzamido)taxol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-(4-Azidobenzamido)taxol has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3'-(4-Azidobenzamido)taxol is 153695-25-1.
The molecular formula of 3'-(4-Azidobenzamido)taxol is C47H50N4O14.
The molecular weight of 3'-(4-Azidobenzamido)taxol is 894.33234 g/mol.
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