Monomethyldiuron
TL;DR: Monomethyldiuron (CAS 3567-62-2) is a chemical compound with molecular formula C8H8Cl2N2O and molecular weight 218.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-methylurea
Also Known As: N-Demethoxylinuron, Monomethyldiuron, 1-(3,4-Dichlorophenyl)-3-methylurea, N-Demethoxy Linuron, Dcpmu
| Molecular Formula | C8H8Cl2N2O |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.00137 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 3567-62-2 |
|---|---|
| SMILES | CNC(=O)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | IDQHRQQSSQDLTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monomethyldiuron (CAS 3567-62-2), with molecular formula C8H8Cl2N2O and molecular weight 218.00 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-methylurea.
Chemical Property Profile of Monomethyldiuron
Property Insights of Monomethyldiuron
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monomethyldiuron. With a topological polar surface area (TPSA) of 41.1 Ų, Monomethyldiuron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Monomethyldiuron 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 Monomethyldiuron?
The CAS number of Monomethyldiuron is 3567-62-2.
What is the molecular formula of Monomethyldiuron?
The molecular formula of Monomethyldiuron is C8H8Cl2N2O.
What is the molecular weight of Monomethyldiuron?
The molecular weight of Monomethyldiuron is 218.00 g/mol.
Where can I buy Monomethyldiuron?
You can request a quote for Monomethyldiuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monomethyldiuron?
Yes, KEHONG BIO provides custom synthesis services for Monomethyldiuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.