Fluoropaclitaxel F-18
TL;DR: Fluoropaclitaxel F-18 (CAS 594848-00-7) is a chemical compound with molecular formula C47H50FNO14 and molecular weight 870.32 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-[(4-(18F)fluorobenzoyl)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: Fluoropaclitaxel F-18, 4-[18F]Fluoropaclitaxel, 4-(18F)Fluoropaclitaxel, 4-Fluoropaclitaxel F-18, [F-18] fluoropaclitaxel
| Molecular Formula | C47H50FNO14 |
|---|---|
| Molecular Weight | 870.32 g/mol |
| LogP | 3.8748 |
| Topological Polar Surface Area | 221.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 870.3241 |
| Heavy Atoms | 63 |
| Complexity | 2335.6816 |
Chemical Identifiers
| CAS Number | 594848-00-7 |
|---|---|
| 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)[18F])O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
Product Overview
Fluoropaclitaxel F-18 (CAS 594848-00-7), with molecular formula C47H50FNO14 and molecular weight 870.32 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(4-(18F)fluorobenzoyl)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.
Chemical Property Profile of Fluoropaclitaxel F-18
Property Insights of Fluoropaclitaxel F-18
The XLogP value of 3.8748 indicates that Fluoropaclitaxel F-18 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.29 Ų indicates high polarity, suggesting Fluoropaclitaxel F-18 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fluoropaclitaxel F-18 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fluoropaclitaxel F-18?
The CAS number of Fluoropaclitaxel F-18 is 594848-00-7.
What is the molecular formula of Fluoropaclitaxel F-18?
The molecular formula of Fluoropaclitaxel F-18 is C47H50FNO14.
What is the molecular weight of Fluoropaclitaxel F-18?
The molecular weight of Fluoropaclitaxel F-18 is 870.32 g/mol.
Where can I buy Fluoropaclitaxel F-18?
You can request a quote for Fluoropaclitaxel F-18 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluoropaclitaxel F-18?
Yes, KEHONG BIO provides custom synthesis services for Fluoropaclitaxel F-18 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.