7-Hexanoyltaxol
TL;DR: 7-Hexanoyltaxol (CAS 185681-64-5) is a chemical compound with molecular formula C53H61NO15 and molecular weight 951.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-hexanoyloxy-1-hydroxy-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: 7-hexanoyltaxol, QP2 cpd, SID:134224010, J1.878.317G, QP2
| Molecular Formula | C53H61NO15 |
|---|---|
| Molecular Weight | 951.40 g/mol |
| LogP | 5.8669 |
| Topological Polar Surface Area | 227.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 951.4041 |
| Heavy Atoms | 69 |
| Complexity | 2474.7964 |
Chemical Identifiers
| CAS Number | 185681-64-5 |
|---|---|
| SMILES | CCCCCC(=O)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O)C)OC(=O)C)C)OC(=O)C |
Product Overview
7-Hexanoyltaxol (CAS 185681-64-5), with molecular formula C53H61NO15 and molecular weight 951.40 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-hexanoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of 7-Hexanoyltaxol
Property Insights of 7-Hexanoyltaxol
The XLogP value of 5.8669 indicates that 7-Hexanoyltaxol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 227.36 Ų indicates high polarity, suggesting 7-Hexanoyltaxol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Hexanoyltaxol has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Hexanoyltaxol?
The CAS number of 7-Hexanoyltaxol is 185681-64-5.
What is the molecular formula of 7-Hexanoyltaxol?
The molecular formula of 7-Hexanoyltaxol is C53H61NO15.
What is the molecular weight of 7-Hexanoyltaxol?
The molecular weight of 7-Hexanoyltaxol is 951.40 g/mol.
Where can I buy 7-Hexanoyltaxol?
You can request a quote for 7-Hexanoyltaxol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hexanoyltaxol?
Yes, KEHONG BIO provides custom synthesis services for 7-Hexanoyltaxol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.