![(2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea structure](/static/products/848/848055-05-0.png)
(2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea
TL;DR: (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea (CAS 848055-05-0) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 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-(2-methylpropoxy)phenyl]prop-2-enamide
Also Known As: (2-cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea, (E)-N-carbamoyl-2-cyano-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 2.22198 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 674.9035 |
Chemical Identifiers
| CAS Number | 848055-05-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC(=O)N)OCC(C)C |
Product Overview
(2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea (CAS 848055-05-0), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: (E)-N-carbamoyl-2-cyano-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide.
Chemical Property Profile of (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea
Property Insights of (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea
The XLogP value of 2.22198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]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-(2-methylpropoxy)phenyl]methylidene}acetyl)urea. Following Lipinski's Rule of Five, (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]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-(2-methylpropoxy)phenyl]methylidene}acetyl)urea?
The CAS number of (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea is 848055-05-0.
What is the molecular formula of (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea?
The molecular formula of (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea is C17H21N3O4.
What is the molecular weight of (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea?
The molecular weight of (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea is 331.15 g/mol.
Where can I buy (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea?
You can request a quote for (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]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-(2-methylpropoxy)phenyl]methylidene}acetyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (2-Cyano-2-{[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene}acetyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.