Benzoyltaxol
TL;DR: Benzoyltaxol (CAS 156481-34-4) is a chemical compound with molecular formula C54H55NO15 and molecular weight 957.3572 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-15-[(2R,3S)-3-[(4-benzoylbenzoyl)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: Benzoyltaxol, Benzoyl-taxol, benzoyl taxol, (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-[(4-benzoylphenyl)formamido]-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, (alphaR,betaS)-alpha-Hydroxy-beta-(4-benzoylbenzoylamino)benzenepropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
Technical Specifications
| Molecular Formula | C54H55NO15 |
| Molecular Weight | 957.3572 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 238.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 957.3572 Da |
| Heavy Atoms | 70 |
| Complexity | 2060.0 |
| 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)C(=O)C7=CC=CC=C7)O)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChIKey | ULRXXOPTBNYPKA-VFTBNVCNSA-N |
Chemical Property Profile of Benzoyltaxol
Property Insights of Benzoyltaxol
The XLogP value of 3.8 indicates that Benzoyltaxol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.0 Ų indicates high polarity, suggesting Benzoyltaxol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoyltaxol 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 Benzoyltaxol?
The CAS number of Benzoyltaxol is 156481-34-4.
What is the molecular formula of Benzoyltaxol?
The molecular formula of Benzoyltaxol is C54H55NO15.
What is the molecular weight of Benzoyltaxol?
The molecular weight of Benzoyltaxol is 957.3572 g/mol.
Where can I buy Benzoyltaxol?
You can request a quote for Benzoyltaxol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoyltaxol?
Yes, CoreyChem provides custom synthesis services for Benzoyltaxol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.