NCIOpen2_005974
TL;DR: NCIOpen2_005974 (CAS 18162-01-1) is a chemical compound with molecular formula C8H10N6O4S and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea
Also Known As: NCIOpen2_005974, 1-methyl-3-[(E)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethyliden, 1-methyl-3-[2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea, HYDRAZINECARBOTHIOAMIDE,2-[2-(3,4-DIHYDRO-5-NITRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)ETHYLIDENE]-N-METHYL-
| Molecular Formula | C8H10N6O4S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | -1.4755 |
| Topological Polar Surface Area | 134.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.04843 |
| Heavy Atoms | 19 |
| Complexity | 632.8617 |
Chemical Identifiers
| CAS Number | 18162-01-1 |
|---|---|
| SMILES | CNC(=S)NN=CCN1C=C(C(=O)NC1=O)[N+](=O)[O-] |
Product Overview
NCIOpen2_005974 (CAS 18162-01-1), with molecular formula C8H10N6O4S and molecular weight 286.05 g/mol. IUPAC: 1-methyl-3-[2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea.
Chemical Property Profile of NCIOpen2_005974
Property Insights of NCIOpen2_005974
The XLogP value of -1.4755 indicates that NCIOpen2_005974 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.42 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_005974. Following Lipinski's Rule of Five, NCIOpen2_005974 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_005974?
The CAS number of NCIOpen2_005974 is 18162-01-1.
What is the molecular formula of NCIOpen2_005974?
The molecular formula of NCIOpen2_005974 is C8H10N6O4S.
What is the molecular weight of NCIOpen2_005974?
The molecular weight of NCIOpen2_005974 is 286.05 g/mol.
Where can I buy NCIOpen2_005974?
You can request a quote for NCIOpen2_005974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_005974?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_005974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.