RefChem:351871
TL;DR: RefChem:351871 (CAS 80761-66-6) is a chemical compound with molecular formula C10H7N7O2 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,7-dimethyl-6,8-dioxopyrimido[4,5-e][1,2,4]triazin-3-yl)propanedinitrile
Also Known As: Malononitrile, (5,7-dimethyl-6,8-dioxo-5,6,7,8-tetrahydropyrimido(4,5-e)-as-triazin-3-yl)-, Pyrimido(4,5-e)-as-triazine-6(5H),8(7H)-dione, 3-dicyanomethyl-5,7-dimethyl-, (5,7-Dimethyl-6,8-dioxo-5,6,7,8-tetrahydropyrimido(4,5-e)-as-triazin-3-yl)malononitrile, 3-Dicyanomethyl-5,7-dimethyl-5,6,7,8-tetrahydropyrimido(4,5-e)(1,2,4)triazine-6,8-dione, 2-(5,7-dimethyl-6,8-dioxo-5,6,7,8-tetrahydropyrimido[4,5-e][1,2,4]triazin-3-yl)malononitrile
| Molecular Formula | C10H7N7O2 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.06613 |
| Heavy Atoms | 19 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 80761-66-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=NC(=N2)C(C#N)C#N |
| InChIKey | ZXMHCDKXDNLPFD-UHFFFAOYSA-N |
Product Overview
RefChem:351871 (CAS 80761-66-6), with molecular formula C10H7N7O2 and molecular weight 257.07 g/mol. IUPAC: 2-(5,7-dimethyl-6,8-dioxopyrimido[4,5-e][1,2,4]triazin-3-yl)propanedinitrile.
Chemical Property Profile of RefChem:351871
Property Insights of RefChem:351871
The XLogP value of -1.6 indicates that RefChem:351871 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:351871. Following Lipinski's Rule of Five, RefChem:351871 has 0 hydrogen bond donor(s) and 7 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:351871?
The CAS number of RefChem:351871 is 80761-66-6.
What is the molecular formula of RefChem:351871?
The molecular formula of RefChem:351871 is C10H7N7O2.
What is the molecular weight of RefChem:351871?
The molecular weight of RefChem:351871 is 257.07 g/mol.
Where can I buy RefChem:351871?
You can request a quote for RefChem:351871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.