N-Nitroso-2-phenylethylurea
TL;DR: N-Nitroso-2-phenylethylurea (CAS 777-79-7) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-1-(2-phenylethyl)urea
Also Known As: N-Nitrosophenylethylurea, Nitrosophenylethylurea, 2-Phenylethylnitrosourea, N-Nitroso-2-phenylethylurea, Urea, 1-nitroso-1-phenethyl-
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 777-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(C(=O)N)N=O |
| InChIKey | DTJMFZHAJPQACD-UHFFFAOYSA-N |
Product Overview
N-Nitroso-2-phenylethylurea (CAS 777-79-7), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 1-nitroso-1-(2-phenylethyl)urea.
Chemical Property Profile of N-Nitroso-2-phenylethylurea
Property Insights of N-Nitroso-2-phenylethylurea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-2-phenylethylurea. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitroso-2-phenylethylurea. Following Lipinski's Rule of Five, N-Nitroso-2-phenylethylurea has 1 hydrogen bond donor(s) and 3 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 N-Nitroso-2-phenylethylurea?
The CAS number of N-Nitroso-2-phenylethylurea is 777-79-7.
What is the molecular formula of N-Nitroso-2-phenylethylurea?
The molecular formula of N-Nitroso-2-phenylethylurea is C9H11N3O2.
What is the molecular weight of N-Nitroso-2-phenylethylurea?
The molecular weight of N-Nitroso-2-phenylethylurea is 193.09 g/mol.
Where can I buy N-Nitroso-2-phenylethylurea?
You can request a quote for N-Nitroso-2-phenylethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitroso-2-phenylethylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-2-phenylethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.