1-Ethyl-3-phenylurea
TL;DR: 1-Ethyl-3-phenylurea (CAS 621-04-5) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-3-phenylurea
Also Known As: 1-Ethyl-3-phenylurea, N-Phenyl-N'-ethylurea, Urea, N-ethyl-N'-phenyl-, 1-phenyl-3-ethylurea, 3-ethyl-1-phenylurea
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.09496 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.09496 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| SMILES | CCNC(=O)NC1=CC=CC=C1 |
| InChIKey | XUFXDODGXLVPNJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethyl-3-phenylurea
Property Insights of 1-Ethyl-3-phenylurea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-phenylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Ethyl-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-phenylurea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Ethyl-3-phenylurea?
The CAS number of 1-Ethyl-3-phenylurea is 621-04-5.
What is the molecular formula of 1-Ethyl-3-phenylurea?
The molecular formula of 1-Ethyl-3-phenylurea is C9H12N2O.
What is the molecular weight of 1-Ethyl-3-phenylurea?
The molecular weight of 1-Ethyl-3-phenylurea is 164.09496 g/mol.
Where can I buy 1-Ethyl-3-phenylurea?
You can request a quote for 1-Ethyl-3-phenylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethyl-3-phenylurea?
Yes, CoreyChem provides custom synthesis services for 1-Ethyl-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.