N-(2,5-dimethylphenyl)-N'-isopropylurea
TL;DR: N-(2,5-dimethylphenyl)-N'-isopropylurea (CAS 100076-53-7) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dimethylphenyl)-3-propan-2-ylurea
Also Known As: N-(2,5-dimethylphenyl)-N'-isopropylurea, 1-(2,5-dimethylphenyl)-3-propan-2-ylurea, 1-(2,5-dimethylphenyl)-3-(propan-2-yl)urea, Urea, N-(2,5-dimethylphenyl)-N'-(1-methylethyl)-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.1419 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.1419 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)NC(C)C |
| InChIKey | CDBPADOCXBEVGD-UHFFFAOYSA-N |
Chemical Property Profile of N-(2,5-dimethylphenyl)-N'-isopropylurea
Property Insights of N-(2,5-dimethylphenyl)-N'-isopropylurea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,5-dimethylphenyl)-N'-isopropylurea. With a topological polar surface area (TPSA) of 41.1 Ų, N-(2,5-dimethylphenyl)-N'-isopropylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,5-dimethylphenyl)-N'-isopropylurea 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
What is the CAS number of N-(2,5-dimethylphenyl)-N'-isopropylurea?
The CAS number of N-(2,5-dimethylphenyl)-N'-isopropylurea is 100076-53-7.
What is the molecular formula of N-(2,5-dimethylphenyl)-N'-isopropylurea?
The molecular formula of N-(2,5-dimethylphenyl)-N'-isopropylurea is C12H18N2O.
What is the molecular weight of N-(2,5-dimethylphenyl)-N'-isopropylurea?
The molecular weight of N-(2,5-dimethylphenyl)-N'-isopropylurea is 206.1419 g/mol.
Where can I buy N-(2,5-dimethylphenyl)-N'-isopropylurea?
You can request a quote for N-(2,5-dimethylphenyl)-N'-isopropylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,5-dimethylphenyl)-N'-isopropylurea?
Yes, CoreyChem provides custom synthesis services for N-(2,5-dimethylphenyl)-N'-isopropylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.