N-(2-Diphosphorylphosphonylmethoxyethyl)uracil
TL;DR: N-(2-Diphosphorylphosphonylmethoxyethyl)uracil (CAS 130029-14-0) is a chemical compound with molecular formula C7H13N2O12P3 and molecular weight 409.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dioxopyrimidin-1-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Also Known As: 1-MeOEt-U-TP, N-(2-Diphosphorylphosphonylmethoxyethyl)uracil, N-(2-Diphosphorylphosphonylmethoxyethyl)-uracil, Diphosphoric acid, monoanhydride with ((2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)ethoxy)methyl)phosphonic acid, 2-(2,4-dioxopyrimidin-1-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
| Molecular Formula | C7H13N2O12P3 |
|---|---|
| Molecular Weight | 409.97 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.96814 |
| Heavy Atoms | 24 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 130029-14-0 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | HXWNOJYMCPRNBL-UHFFFAOYSA-N |
Product Overview
N-(2-Diphosphorylphosphonylmethoxyethyl)uracil (CAS 130029-14-0), with molecular formula C7H13N2O12P3 and molecular weight 409.97 g/mol. IUPAC: 2-(2,4-dioxopyrimidin-1-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid.
Chemical Property Profile of N-(2-Diphosphorylphosphonylmethoxyethyl)uracil
Property Insights of N-(2-Diphosphorylphosphonylmethoxyethyl)uracil
The XLogP value of -4.9 indicates that N-(2-Diphosphorylphosphonylmethoxyethyl)uracil 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)uracil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-Diphosphorylphosphonylmethoxyethyl)uracil 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)uracil?
The CAS number of N-(2-Diphosphorylphosphonylmethoxyethyl)uracil is 130029-14-0.
What is the molecular formula of N-(2-Diphosphorylphosphonylmethoxyethyl)uracil?
The molecular formula of N-(2-Diphosphorylphosphonylmethoxyethyl)uracil is C7H13N2O12P3.
What is the molecular weight of N-(2-Diphosphorylphosphonylmethoxyethyl)uracil?
The molecular weight of N-(2-Diphosphorylphosphonylmethoxyethyl)uracil is 409.97 g/mol.
Where can I buy N-(2-Diphosphorylphosphonylmethoxyethyl)uracil?
You can request a quote for N-(2-Diphosphorylphosphonylmethoxyethyl)uracil 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)uracil?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Diphosphorylphosphonylmethoxyethyl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.