NCIOpen2_006361
TL;DR: NCIOpen2_006361 (CAS 18162-00-0) is a chemical compound with molecular formula C7H8N6O5 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea
Also Known As: NCIOpen2_006361, [2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea, 2-[2-(4-Hydroxy-5-nitro-2-oxopyrimidin-1(2H)-yl)ethylidene]hydrazine-1-carboximidic acid, Hydrazinecarboxamide,2-[2-(3,4-dihydro-5-nitro-2,4-dioxo-1(2H)-pyrimidinyl)ethylidene]-
| Molecular Formula | C7H8N6O5 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0556 |
| Heavy Atoms | 18 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 18162-00-0 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1CC=NNC(=O)N)[N+](=O)[O-] |
| InChIKey | JQVWNPMCWBAFKT-UHFFFAOYSA-N |
Product Overview
NCIOpen2_006361 (CAS 18162-00-0), with molecular formula C7H8N6O5 and molecular weight 256.06 g/mol. IUPAC: [2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea.
Chemical Property Profile of NCIOpen2_006361
Property Insights of NCIOpen2_006361
The XLogP value of -2.0 indicates that NCIOpen2_006361 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting NCIOpen2_006361 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIOpen2_006361 has 3 hydrogen bond donor(s) and 6 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 NCIOpen2_006361?
The CAS number of NCIOpen2_006361 is 18162-00-0.
What is the molecular formula of NCIOpen2_006361?
The molecular formula of NCIOpen2_006361 is C7H8N6O5.
What is the molecular weight of NCIOpen2_006361?
The molecular weight of NCIOpen2_006361 is 256.06 g/mol.
Where can I buy NCIOpen2_006361?
You can request a quote for NCIOpen2_006361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_006361?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_006361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.