4-Fluorobenzoyladenosine 5'-triphosphate
TL;DR: 4-Fluorobenzoyladenosine 5'-triphosphate (CAS 64050-47-1) is a chemical compound with molecular formula C17H19FN5O14P3 and molecular weight 629.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-[6-[(4-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 4-Fluorobenzoyladenosine 5'-triphosphate, para-Fluorobenzoyladenosine 5'-triphosphate, n-(4-fluorobenzoyl)adenosine 5'-(tetrahydrogen triphosphate), Adenosine 5'-(tetrahydrogen triphosphate), N-(4-fluorobenzoyl)-, [[(2R,3S,4R,5R)-5-[6-[(4-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C17H19FN5O14P3 |
|---|---|
| Molecular Weight | 629.01 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 629.0125 |
| Heavy Atoms | 40 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 64050-47-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F |
| InChIKey | SWZZGDJMGIOGFU-CNEMSGBDSA-N |
Product Overview
4-Fluorobenzoyladenosine 5'-triphosphate (CAS 64050-47-1), with molecular formula C17H19FN5O14P3 and molecular weight 629.01 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-[6-[(4-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 4-Fluorobenzoyladenosine 5'-triphosphate
Property Insights of 4-Fluorobenzoyladenosine 5'-triphosphate
The XLogP value of -3.8 indicates that 4-Fluorobenzoyladenosine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 282.0 Ų indicates high polarity, suggesting 4-Fluorobenzoyladenosine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Fluorobenzoyladenosine 5'-triphosphate has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Fluorobenzoyladenosine 5'-triphosphate?
The CAS number of 4-Fluorobenzoyladenosine 5'-triphosphate is 64050-47-1.
What is the molecular formula of 4-Fluorobenzoyladenosine 5'-triphosphate?
The molecular formula of 4-Fluorobenzoyladenosine 5'-triphosphate is C17H19FN5O14P3.
What is the molecular weight of 4-Fluorobenzoyladenosine 5'-triphosphate?
The molecular weight of 4-Fluorobenzoyladenosine 5'-triphosphate is 629.01 g/mol.
Where can I buy 4-Fluorobenzoyladenosine 5'-triphosphate?
You can request a quote for 4-Fluorobenzoyladenosine 5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzoyladenosine 5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzoyladenosine 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.