2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile
TL;DR: 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile (CAS 117342-83-3) is a chemical compound with molecular formula C7H4N4O2 and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dioxo-1,3-diazinan-2-ylidene)propanedinitrile
Also Known As: 2-(4,6-dioxo-1,3-diazinan-2-ylidene)propanedinitrile, NCI60_007785, 6-chloro-6-methylbicyclo<3.1.0>hexan-2-one, (4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile, 2-(4,6-Dioxotetrahydro-2(1H)-pyrimidinylidene)malononitrile
| Molecular Formula | C7H4N4O2 |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.03343 |
| Heavy Atoms | 13 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 117342-83-3 |
|---|---|
| SMILES | C1C(=O)NC(=C(C#N)C#N)NC1=O |
| InChIKey | OVIVBDZFPQQIIG-UHFFFAOYSA-N |
Product Overview
2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile (CAS 117342-83-3), with molecular formula C7H4N4O2 and molecular weight 176.03 g/mol. IUPAC: 2-(4,6-dioxo-1,3-diazinan-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile
Property Insights of 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile
The XLogP value of -1.4 indicates that 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile has 2 hydrogen bond donor(s) and 4 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 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile?
The CAS number of 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile is 117342-83-3.
What is the molecular formula of 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile?
The molecular formula of 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile is C7H4N4O2.
What is the molecular weight of 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile?
The molecular weight of 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile is 176.03 g/mol.
Where can I buy 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile?
You can request a quote for 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.