1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate
TL;DR: 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate (CAS 127753-53-1) is a chemical compound with molecular formula C11H17FN5O12P3 and molecular weight 523.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(1S,2S,3S,5S)-5-azido-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 4-Az-2-F-3-MeOCyclopentTTP, 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate, Triphosphoric acid, P-((5-azido-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-fluorocyclopentyl)methyl) ester, (1alpha,2beta,3alpha,5beta)-, compd. with N,N-diethylethanamine, [[(1S,2S,3S,5S)-5-azido-2-fluoro-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentyl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate, [[(1S,2S,3S,5S)-5-azido-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C11H17FN5O12P3 |
|---|---|
| Molecular Weight | 523.01 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.0071 |
| Heavy Atoms | 32 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 127753-53-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-] |
| InChIKey | CMHHWJSQNNZORY-XGEHTFHBSA-N |
Product Overview
1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate (CAS 127753-53-1), with molecular formula C11H17FN5O12P3 and molecular weight 523.01 g/mol. IUPAC: [[(1S,2S,3S,5S)-5-azido-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate
Property Insights of 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate
The XLogP value of -2.6 indicates that 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate has 5 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 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate?
The CAS number of 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate is 127753-53-1.
What is the molecular formula of 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate?
The molecular formula of 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate is C11H17FN5O12P3.
What is the molecular weight of 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate?
The molecular weight of 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate is 523.01 g/mol.
Where can I buy 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate?
You can request a quote for 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.