NCIOpen2_009949
TL;DR: NCIOpen2_009949 (CAS 18161-98-3) is a chemical compound with molecular formula C10H14N8O2S2 and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-[2-(carbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
Also Known As: NCIOpen2_009949, [(E)-2-[3-[(2E)-2-(carbamothioylhydrazinylidene)ethyl]-2,4-d, [2-[3-[2-(carbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
| Molecular Formula | C10H14N8O2S2 |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | -2.352 |
| Topological Polar Surface Area | 144.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.0681 |
| Heavy Atoms | 22 |
| Complexity | 720.3721 |
Chemical Identifiers
| CAS Number | 18161-98-3 |
|---|---|
| SMILES | C1=CN(C(=O)N(C1=O)CC=NNC(=S)N)CC=NNC(=S)N |
Product Overview
NCIOpen2_009949 (CAS 18161-98-3), with molecular formula C10H14N8O2S2 and molecular weight 342.07 g/mol. IUPAC: [2-[3-[2-(carbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea.
Chemical Property Profile of NCIOpen2_009949
Property Insights of NCIOpen2_009949
The XLogP value of -2.352 indicates that NCIOpen2_009949 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.82 Ų indicates high polarity, suggesting NCIOpen2_009949 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIOpen2_009949 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_009949?
The CAS number of NCIOpen2_009949 is 18161-98-3.
What is the molecular formula of NCIOpen2_009949?
The molecular formula of NCIOpen2_009949 is C10H14N8O2S2.
What is the molecular weight of NCIOpen2_009949?
The molecular weight of NCIOpen2_009949 is 342.07 g/mol.
Where can I buy NCIOpen2_009949?
You can request a quote for NCIOpen2_009949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009949?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.