Docetaxal
TL;DR: Docetaxal (CAS 125354-16-7) is a chemical compound with molecular formula C45H55NO15 and molecular weight 849.3572 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-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-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: Docetaxal, docetaxel, Docetaxol, Phop protein, 10-Acetyltaxotere
Technical Specifications
| Molecular Formula | C45H55NO15 |
| Molecular Weight | 849.3572 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 849.3572 Da |
| Heavy Atoms | 61 |
| Complexity | 1770.0 |
| 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)O)C)OC(=O)C |
| InChIKey | LEMYAXKYCOBYOJ-OAGWZNDDSA-N |
Chemical Property Profile of Docetaxal
Property Insights of Docetaxal
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Docetaxal. The TPSA of 231.0 Ų indicates high polarity, suggesting Docetaxal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Docetaxal has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Docetaxal?
The CAS number of Docetaxal is 125354-16-7.
What is the molecular formula of Docetaxal?
The molecular formula of Docetaxal is C45H55NO15.
What is the molecular weight of Docetaxal?
The molecular weight of Docetaxal is 849.3572 g/mol.
Where can I buy Docetaxal?
You can request a quote for Docetaxal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Docetaxal?
Yes, CoreyChem provides custom synthesis services for Docetaxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.