![3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile structure](/static/products/2849/28495-94-5.webp)
3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile
TL;DR: 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile (CAS 28495-94-5) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile
Also Known As: 3-[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile, 3-[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propan, 3-{5-[(3-Ethoxyphenyl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}propanenitrile
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 28495-94-5 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)CC2=CN(C(=O)NC2=O)CCC#N |
| InChIKey | UGRDNHCZPFUWOB-UHFFFAOYSA-N |
Product Overview
3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile (CAS 28495-94-5), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 3-[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile.
Chemical Property Profile of 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile
Property Insights of 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile has 1 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 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile?
The CAS number of 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile is 28495-94-5.
What is the molecular formula of 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile?
The molecular formula of 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile is C16H17N3O3.
What is the molecular weight of 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile?
The molecular weight of 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile is 299.13 g/mol.
Where can I buy 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile?
You can request a quote for 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(3-Ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.