NCIOpen2_009939
TL;DR: NCIOpen2_009939 (CAS 18161-99-4) is a chemical compound with molecular formula C12H18N8O2S2 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[2-[3-[2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
Also Known As: NCIOpen2_009939, 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinyli, 1-methyl-3-[2-[3-[2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea, 3-methyl-1-[2-[3-[2-(methylthiocarbamoylhydrazinylidene)ethyl]-2,6-dioxo-pyrimidin-1-yl]ethylideneamino]thiourea
| Molecular Formula | C12H18N8O2S2 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | -1.8306 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.09943 |
| Heavy Atoms | 24 |
| Complexity | 752.16016 |
Chemical Identifiers
| CAS Number | 18161-99-4 |
|---|---|
| SMILES | CNC(=S)NN=CCN1C=CC(=O)N(C1=O)CC=NNC(=S)NC |
Product Overview
NCIOpen2_009939 (CAS 18161-99-4), with molecular formula C12H18N8O2S2 and molecular weight 370.10 g/mol. IUPAC: 1-methyl-3-[2-[3-[2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea.
Chemical Property Profile of NCIOpen2_009939
Property Insights of NCIOpen2_009939
The XLogP value of -1.8306 indicates that NCIOpen2_009939 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_009939. Following Lipinski's Rule of Five, NCIOpen2_009939 has 4 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_009939?
The CAS number of NCIOpen2_009939 is 18161-99-4.
What is the molecular formula of NCIOpen2_009939?
The molecular formula of NCIOpen2_009939 is C12H18N8O2S2.
What is the molecular weight of NCIOpen2_009939?
The molecular weight of NCIOpen2_009939 is 370.10 g/mol.
Where can I buy NCIOpen2_009939?
You can request a quote for NCIOpen2_009939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009939?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.