N-(2-Diphosphorylphosphonylmethoxyethyl)thymine
TL;DR: N-(2-Diphosphorylphosphonylmethoxyethyl)thymine (CAS 130029-16-2) is a chemical compound with molecular formula C8H15N2O12P3 and molecular weight 423.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy(phosphonooxy)phosphoryl]oxy-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxymethyl]phosphinic acid
Also Known As: 1-MeOEt-T-TP, N-(2-Diphosphorylphosphonylmethoxyethyl)thymine, N-(2-Diphosphorylphosphonylmethoxyethyl)-thymine, Diphosphoric acid, monoanhydride with ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)ethoxy)methyl)phosphonic acid, [hydroxy(phosphonooxy)phosphoryl]oxy-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)ethoxymethyl]phosphinic acid
| Molecular Formula | C8H15N2O12P3 |
|---|---|
| Molecular Weight | 423.98 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.9838 |
| Heavy Atoms | 25 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 130029-16-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | CHOTUYXMZJBCQK-UHFFFAOYSA-N |
Product Overview
N-(2-Diphosphorylphosphonylmethoxyethyl)thymine (CAS 130029-16-2), with molecular formula C8H15N2O12P3 and molecular weight 423.98 g/mol. IUPAC: [hydroxy(phosphonooxy)phosphoryl]oxy-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxymethyl]phosphinic acid.
Chemical Property Profile of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine
Property Insights of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine
The XLogP value of -4.5 indicates that N-(2-Diphosphorylphosphonylmethoxyethyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting N-(2-Diphosphorylphosphonylmethoxyethyl)thymine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-Diphosphorylphosphonylmethoxyethyl)thymine has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine?
The CAS number of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine is 130029-16-2.
What is the molecular formula of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine?
The molecular formula of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine is C8H15N2O12P3.
What is the molecular weight of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine?
The molecular weight of N-(2-Diphosphorylphosphonylmethoxyethyl)thymine is 423.98 g/mol.
Where can I buy N-(2-Diphosphorylphosphonylmethoxyethyl)thymine?
You can request a quote for N-(2-Diphosphorylphosphonylmethoxyethyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Diphosphorylphosphonylmethoxyethyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Diphosphorylphosphonylmethoxyethyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.