N'-(3-Chlorophenyl)-N,N-dimethylurea
TL;DR: N'-(3-Chlorophenyl)-N,N-dimethylurea (CAS 587-34-8) is a chemical compound with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1,1-dimethylurea
Also Known As: 3-(3-Chlorophenyl)-1,1-dimethylurea, MONURON, N'-(3-CHLOROPHENYL)-N,N-DIMETHYLUREA, 1-(3-Chlorophenyl)-3,3-dimethylurea, 1-(m-Chlorophenyl)-3,3-dimethylurea
| Molecular Formula | C9H11ClN2O |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.05598 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 587-34-8 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | QLQDWOFJALEHSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N'-(3-Chlorophenyl)-N,N-dimethylurea (CAS 587-34-8), with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol. IUPAC: 3-(3-chlorophenyl)-1,1-dimethylurea.
Chemical Property Profile of N'-(3-Chlorophenyl)-N,N-dimethylurea
Property Insights of N'-(3-Chlorophenyl)-N,N-dimethylurea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3-Chlorophenyl)-N,N-dimethylurea. With a topological polar surface area (TPSA) of 32.3 Ų, N'-(3-Chlorophenyl)-N,N-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3-Chlorophenyl)-N,N-dimethylurea has 1 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 N'-(3-Chlorophenyl)-N,N-dimethylurea?
The CAS number of N'-(3-Chlorophenyl)-N,N-dimethylurea is 587-34-8.
What is the molecular formula of N'-(3-Chlorophenyl)-N,N-dimethylurea?
The molecular formula of N'-(3-Chlorophenyl)-N,N-dimethylurea is C9H11ClN2O.
What is the molecular weight of N'-(3-Chlorophenyl)-N,N-dimethylurea?
The molecular weight of N'-(3-Chlorophenyl)-N,N-dimethylurea is 198.06 g/mol.
Where can I buy N'-(3-Chlorophenyl)-N,N-dimethylurea?
You can request a quote for N'-(3-Chlorophenyl)-N,N-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3-Chlorophenyl)-N,N-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-Chlorophenyl)-N,N-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.