RefChem:377776
TL;DR: RefChem:377776 (CAS 80761-67-7) is a chemical compound with molecular formula C10H8N6O4 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(6,8-dioxo-5H-pyrimido[4,5-e][1,2,4]triazin-3-yl)acetate
Also Known As: Pyrimido(4,5-e)-as-triazine-3-acetic acid, 5,6,7,8-tetrahydro-alpha-cyano-6,8-dioxo-, ethyl ester, Ethyl cyano(6,8-dihydroxypyrimido[4,5-e][1,2,4]triazin-3-yl)acetate, ethyl 2-cyano-2-(6,8-dioxo-5H-pyrimido[4,5-e][1,2,4]triazin-3-yl)acetate, ethyl 2-cyano-2-{6,8-dioxo-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazin-3-yl}acetate, 5,6,7,8-Tetrahydro-alpha-cyano-6,8-dioxopyrimido[4,5-e]-1,2,4-triazine-3-acetic acid ethyl ester
| Molecular Formula | C10H8N6O4 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | -1.42832 |
| Topological Polar Surface Area | 154.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.0607 |
| Heavy Atoms | 20 |
| Complexity | 816.83325 |
Chemical Identifiers
| CAS Number | 80761-67-7 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=NC2=C(C(=O)NC(=O)N2)N=N1 |
Product Overview
RefChem:377776 (CAS 80761-67-7), with molecular formula C10H8N6O4 and molecular weight 276.06 g/mol. IUPAC: ethyl 2-cyano-2-(6,8-dioxo-5H-pyrimido[4,5-e][1,2,4]triazin-3-yl)acetate.
Chemical Property Profile of RefChem:377776
Property Insights of RefChem:377776
The XLogP value of -1.42832 indicates that RefChem:377776 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.48 Ų indicates high polarity, suggesting RefChem:377776 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377776 has 2 hydrogen bond donor(s) and 8 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 RefChem:377776?
The CAS number of RefChem:377776 is 80761-67-7.
What is the molecular formula of RefChem:377776?
The molecular formula of RefChem:377776 is C10H8N6O4.
What is the molecular weight of RefChem:377776?
The molecular weight of RefChem:377776 is 276.06 g/mol.
Where can I buy RefChem:377776?
You can request a quote for RefChem:377776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377776?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.