3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine
TL;DR: 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine (CAS 135444-85-8) is a chemical compound with molecular formula C11H18FN2O12P3 and molecular weight 482.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Also Known As: 2'-F-Cyclopentyl-T deriv., 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine, Triphosphoric acid, P-(((3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-fluorocyclopentyl)oxy)methyl) ester, (1alpha,2beta,3alpha)-, [(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid, [(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
| Molecular Formula | C11H18FN2O12P3 |
|---|---|
| Molecular Weight | 482.01 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.00568 |
| Heavy Atoms | 29 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 135444-85-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H]([C@@H]2F)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | UFSYEQZNALCGEJ-DJLDLDEBSA-N |
Product Overview
3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine (CAS 135444-85-8), with molecular formula C11H18FN2O12P3 and molecular weight 482.01 g/mol. IUPAC: [(1R,2R,3S)-2-fluoro-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid.
Chemical Property Profile of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine
Property Insights of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine
The XLogP value of -3.5 indicates that 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine?
The CAS number of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine is 135444-85-8.
What is the molecular formula of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine?
The molecular formula of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine is C11H18FN2O12P3.
What is the molecular weight of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine?
The molecular weight of 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine is 482.01 g/mol.
Where can I buy 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine?
You can request a quote for 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Diphosphoryl-phosphonate-2'-fluorocyclopentylthymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.