NCIOpen2_009744
TL;DR: NCIOpen2_009744 (CAS 18161-97-2) is a chemical compound with molecular formula C10H14N8O4 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-[2-(carbamoylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]urea
Also Known As: NCIOpen2_009744, [(E)-2-[3-[(2E)-2-(carbamoylhydrazinylidene)ethyl]-2,4-dioxo, [2-[3-[2-(carbamoylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]urea
| Molecular Formula | C10H14N8O4 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.1138 |
| Heavy Atoms | 22 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 18161-97-2 |
|---|---|
| SMILES | C1=CN(C(=O)N(C1=O)CC=NNC(=O)N)CC=NNC(=O)N |
| InChIKey | LDKFPKGVDCWPBJ-UHFFFAOYSA-N |
Product Overview
NCIOpen2_009744 (CAS 18161-97-2), with molecular formula C10H14N8O4 and molecular weight 310.11 g/mol. IUPAC: [2-[3-[2-(carbamoylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]urea.
Chemical Property Profile of NCIOpen2_009744
Property Insights of NCIOpen2_009744
The XLogP value of -3.1 indicates that NCIOpen2_009744 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting NCIOpen2_009744 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIOpen2_009744 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_009744?
The CAS number of NCIOpen2_009744 is 18161-97-2.
What is the molecular formula of NCIOpen2_009744?
The molecular formula of NCIOpen2_009744 is C10H14N8O4.
What is the molecular weight of NCIOpen2_009744?
The molecular weight of NCIOpen2_009744 is 310.11 g/mol.
Where can I buy NCIOpen2_009744?
You can request a quote for NCIOpen2_009744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009744?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.