N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine
TL;DR: N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine (CAS 304692-62-4) is a chemical compound with molecular formula C8H11N5O4S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(1,1-dioxothiolan-3-yl)-5-nitropyrimidine-4,6-diamine
Also Known As: SDCCGMLS-0065461.P001, N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine, 4-N-(1,1-dioxothiolan-3-yl)-5-nitropyrimidine-4,6-diamine, 3-[(6-amino-5-nitropyrimidin-4-yl)amino]-1, 3-((6-amino-5-nitropyrimidin-4-yl)amino)tetrahydrothiophene 1,1-dioxide
| Molecular Formula | C8H11N5O4S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | -0.434 |
| Topological Polar Surface Area | 141.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.05316 |
| Heavy Atoms | 18 |
| Complexity | 587.15015 |
Chemical Identifiers
| CAS Number | 304692-62-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine (CAS 304692-62-4), with molecular formula C8H11N5O4S and molecular weight 273.05 g/mol. IUPAC: 4-N-(1,1-dioxothiolan-3-yl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine
Property Insights of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of -0.434 indicates that N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.11 Ų indicates high polarity, suggesting N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine is 304692-62-4.
What is the molecular formula of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine is C8H11N5O4S.
What is the molecular weight of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine is 273.05 g/mol.
Where can I buy N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.