N-Debenzoyltaxol
TL;DR: N-Debenzoyltaxol (CAS 133524-70-6) is a chemical compound with molecular formula C40H47NO13 and molecular weight 749.30475 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-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: N-Debenzoyltaxol, N-debenzoylpaclitaxel, 3'-N-Debenzoyltaxol, 3'-debenzoylpaclitaxel, N-debenzoyl-paclitaxel
Technical Specifications
| Molecular Formula | C40H47NO13 |
| Molecular Weight | 749.30475 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 749.30475 Da |
| Heavy Atoms | 54 |
| Complexity | 1550.0 |
| 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)N)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | DLACRDONFBNRSP-KWIOUIIFSA-N |
Chemical Property Profile of N-Debenzoyltaxol
Property Insights of N-Debenzoyltaxol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Debenzoyltaxol. The TPSA of 218.0 Ų indicates high polarity, suggesting N-Debenzoyltaxol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Debenzoyltaxol has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Debenzoyltaxol?
The CAS number of N-Debenzoyltaxol is 133524-70-6.
What is the molecular formula of N-Debenzoyltaxol?
The molecular formula of N-Debenzoyltaxol is C40H47NO13.
What is the molecular weight of N-Debenzoyltaxol?
The molecular weight of N-Debenzoyltaxol is 749.30475 g/mol.
Where can I buy N-Debenzoyltaxol?
You can request a quote for N-Debenzoyltaxol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Debenzoyltaxol?
Yes, CoreyChem provides custom synthesis services for N-Debenzoyltaxol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.