![{2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea structure](/static/products/848/848055-06-1.png)
{2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea
TL;DR: {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea (CAS 848055-06-1) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-carbamoyl-2-cyano-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
Also Known As: {2-cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea, (E)-N-carbamoyl-2-cyano-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
| Molecular Formula | C16H19N3O4 |
|---|---|
| Molecular Weight | 317.14 g/mol |
| LogP | 1.97598 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.13754 |
| Heavy Atoms | 23 |
| Complexity | 647.2157 |
Chemical Identifiers
| CAS Number | 848055-06-1 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC(=O)N)OCC |
Product Overview
{2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea (CAS 848055-06-1), with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol. IUPAC: (E)-N-carbamoyl-2-cyano-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide.
Chemical Property Profile of {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea
Property Insights of {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea
The XLogP value of 1.97598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea. Following Lipinski's Rule of Five, {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea 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 {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea?
The CAS number of {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea is 848055-06-1.
What is the molecular formula of {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea?
The molecular formula of {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea is C16H19N3O4.
What is the molecular weight of {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea?
The molecular weight of {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea is 317.14 g/mol.
Where can I buy {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea?
You can request a quote for {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea?
Yes, KEHONG BIO provides custom synthesis services for {2-Cyano-2-[(3-ethoxy-4-propoxyphenyl)methylidene]acetyl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.