Phenethylurea
TL;DR: Phenethylurea (CAS 2158-04-5) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethylurea
Also Known As: Phenethylurea, N-Phenethylurea, Urea, phenethyl-, 2-phenylethylurea, (2-phenylethyl)urea
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 2158-04-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)N |
| InChIKey | ZMTSMVZAFDWQRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethylurea (CAS 2158-04-5), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: 2-phenylethylurea.
Chemical Property Profile of Phenethylurea
Property Insights of Phenethylurea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethylurea. With a topological polar surface area (TPSA) of 55.1 Ų, Phenethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylurea 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
Frequently Asked Questions
What is the CAS number of Phenethylurea?
The CAS number of Phenethylurea is 2158-04-5.
What is the molecular formula of Phenethylurea?
The molecular formula of Phenethylurea is C9H12N2O.
What is the molecular weight of Phenethylurea?
The molecular weight of Phenethylurea is 164.09 g/mol.
Where can I buy Phenethylurea?
You can request a quote for Phenethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethylurea?
Yes, KEHONG BIO provides custom synthesis services for Phenethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.