Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate
TL;DR: Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate (CAS 137522-78-2) is a chemical compound with molecular formula C5H4N4O3 and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]acetonitrile
Also Known As: 2,4-di-oxo-6-cyanomethoxy-s-triazine, 1,2,3,4-Tetrahydro-2,4-dioxo-6-cyanomethoxy-5-triazine dihydrate, Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate, ((4,6-Dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy)acetonitrile dihydrate, 6-Cyanomethoxy-1,3,5-triazine-2,4(1H,3H)-dione
| Molecular Formula | C5H4N4O3 |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | -1.63942 |
| Topological Polar Surface Area | 111.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.02834 |
| Heavy Atoms | 12 |
| Complexity | 383.432 |
Chemical Identifiers
| CAS Number | 137522-78-2 |
|---|---|
| SMILES | C(C#N)OC1=NC(=O)NC(=O)N1 |
Product Overview
Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate (CAS 137522-78-2), with molecular formula C5H4N4O3 and molecular weight 168.03 g/mol. IUPAC: 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]acetonitrile.
Chemical Property Profile of Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate
Property Insights of Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate
The XLogP value of -1.63942 indicates that Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate. Following Lipinski's Rule of Five, Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate has 2 hydrogen bond donor(s) and 5 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 Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate?
The CAS number of Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate is 137522-78-2.
What is the molecular formula of Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate?
The molecular formula of Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate is C5H4N4O3.
What is the molecular weight of Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate?
The molecular weight of Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate is 168.03 g/mol.
Where can I buy Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate?
You can request a quote for Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.