![[2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol structure](/static/products/7474/7474-54-6.webp)
[2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol
TL;DR: [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol (CAS 7474-54-6) is a chemical compound with molecular formula C17H20N8O13 and molecular weight 544.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea;2,4,6-trinitrophenol
Also Known As: [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol|[2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea; 2,4,6-trinitrophenol|4-Amino-1-[2-(carbamoylamino)-2-deoxyhexopyranosyl]pyrimidin-2(1H)-one--2,4,6-trinitrophenol (1/1)
| Molecular Formula | C17H20N8O13 |
|---|---|
| Molecular Weight | 544.12 g/mol |
| LogP | -2.4093 |
| Topological Polar Surface Area | 341.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 544.115 |
| Heavy Atoms | 38 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 7474-54-6 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)CO)O)O)NC(=O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CVLCHGIQSCNBRP-UHFFFAOYSA-N |
Product Overview
[2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol (CAS 7474-54-6), with molecular formula C17H20N8O13 and molecular weight 544.12 g/mol. IUPAC: [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea;2,4,6-trinitrophenol.
Chemical Property Profile of [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol
Property Insights of [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol
The XLogP value of -2.4093 indicates that [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 341.0 Ų indicates high polarity, suggesting [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol has 7 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 [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol?
The CAS number of [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol is 7474-54-6.
What is the molecular formula of [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol?
The molecular formula of [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol is C17H20N8O13.
What is the molecular weight of [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol?
The molecular weight of [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol is 544.12 g/mol.
Where can I buy [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol?
You can request a quote for [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.