N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea
TL;DR: N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea (CAS 16233-09-3) is a chemical compound with molecular formula C9H10ClFN2O and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(4-fluorophenyl)urea
Also Known As: N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea, 1-(2-chloroethyl)-3-(4-fluorophenyl)urea, chloroethylfluorophenylurea, KST-1B0800, 3-(2-chloroethyl)-1-(4-fluorophenyl)urea
| Molecular Formula | C9H10ClFN2O |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.04657 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 16233-09-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NCCCl)F |
| InChIKey | NQVQWNNGRKPRIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea (CAS 16233-09-3), with molecular formula C9H10ClFN2O and molecular weight 216.05 g/mol. IUPAC: 1-(2-chloroethyl)-3-(4-fluorophenyl)urea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea
Property Insights of N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea has 2 hydrogen bond donor(s) and 2 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-(2-Chloroethyl)-N'-(4-fluorophenyl)urea?
The CAS number of N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea is 16233-09-3.
What is the molecular formula of N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea?
The molecular formula of N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea is C9H10ClFN2O.
What is the molecular weight of N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea?
The molecular weight of N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea is 216.05 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea?
You can request a quote for N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.