![4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile structure](/static/products/7487/748775-86-2.webp)
4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile
TL;DR: 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile (CAS 748775-86-2) is a chemical compound with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile
Also Known As: 4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile, 4-[2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethoxy]benzonitrile
| Molecular Formula | C15H14N4O4 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | -0.20042 |
| Topological Polar Surface Area | 120.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1015 |
| Heavy Atoms | 23 |
| Complexity | 916.70886 |
Chemical Identifiers
| CAS Number | 748775-86-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=O)COC2=CC=C(C=C2)C#N)N |
Product Overview
4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile (CAS 748775-86-2), with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol. IUPAC: 4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile.
Chemical Property Profile of 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile
Property Insights of 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile
The XLogP value of -0.20042 indicates that 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile. Following Lipinski's Rule of Five, 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile has 1 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 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile?
The CAS number of 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile is 748775-86-2.
What is the molecular formula of 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile?
The molecular formula of 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile is C15H14N4O4.
What is the molecular weight of 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile?
The molecular weight of 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile is 314.10 g/mol.
Where can I buy 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile?
You can request a quote for 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.