Monodesmethylisoproturon
TL;DR: Monodesmethylisoproturon (CAS 34123-57-4) is a chemical compound with molecular formula C11H16N2O and molecular weight 192.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(4-propan-2-ylphenyl)urea
Also Known As: isoproturon-monodemethyl, isoproturon TP, Demethylisoproturon, N-Demethylisoproturon, desmethylisoproturon
| Molecular Formula | C11H16N2O |
|---|---|
| Molecular Weight | 192.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.12627 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 34123-57-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)NC |
| InChIKey | DOULWWSSZVEPIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monodesmethylisoproturon (CAS 34123-57-4), with molecular formula C11H16N2O and molecular weight 192.13 g/mol. IUPAC: 1-methyl-3-(4-propan-2-ylphenyl)urea.
Chemical Property Profile of Monodesmethylisoproturon
Property Insights of Monodesmethylisoproturon
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monodesmethylisoproturon. With a topological polar surface area (TPSA) of 41.1 Ų, Monodesmethylisoproturon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Monodesmethylisoproturon 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 Monodesmethylisoproturon?
The CAS number of Monodesmethylisoproturon is 34123-57-4.
What is the molecular formula of Monodesmethylisoproturon?
The molecular formula of Monodesmethylisoproturon is C11H16N2O.
What is the molecular weight of Monodesmethylisoproturon?
The molecular weight of Monodesmethylisoproturon is 192.13 g/mol.
Where can I buy Monodesmethylisoproturon?
You can request a quote for Monodesmethylisoproturon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monodesmethylisoproturon?
Yes, KEHONG BIO provides custom synthesis services for Monodesmethylisoproturon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.