3-(2-Isopropylphenyl)-1,1-dimethylurea
TL;DR: 3-(2-Isopropylphenyl)-1,1-dimethylurea (CAS 70214-90-3) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(2-propan-2-ylphenyl)urea
Also Known As: Isoproturon Impurity 1, 3-(2-Isopropylphenyl)-1,1-dimethylurea, 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea
| Molecular Formula | C12H18N2O |
|---|---|
| Molecular Weight | 206.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.1419 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 70214-90-3 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1NC(=O)N(C)C |
| InChIKey | PRVKYSZITFAWTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Isopropylphenyl)-1,1-dimethylurea (CAS 70214-90-3), with molecular formula C12H18N2O and molecular weight 206.14 g/mol. IUPAC: 1,1-dimethyl-3-(2-propan-2-ylphenyl)urea.
Chemical Property Profile of 3-(2-Isopropylphenyl)-1,1-dimethylurea
Property Insights of 3-(2-Isopropylphenyl)-1,1-dimethylurea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Isopropylphenyl)-1,1-dimethylurea. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(2-Isopropylphenyl)-1,1-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Isopropylphenyl)-1,1-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 3-(2-Isopropylphenyl)-1,1-dimethylurea?
The CAS number of 3-(2-Isopropylphenyl)-1,1-dimethylurea is 70214-90-3.
What is the molecular formula of 3-(2-Isopropylphenyl)-1,1-dimethylurea?
The molecular formula of 3-(2-Isopropylphenyl)-1,1-dimethylurea is C12H18N2O.
What is the molecular weight of 3-(2-Isopropylphenyl)-1,1-dimethylurea?
The molecular weight of 3-(2-Isopropylphenyl)-1,1-dimethylurea is 206.14 g/mol.
Where can I buy 3-(2-Isopropylphenyl)-1,1-dimethylurea?
You can request a quote for 3-(2-Isopropylphenyl)-1,1-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Isopropylphenyl)-1,1-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Isopropylphenyl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.