1,1-Diisobutyl-3-(2,4-xylyl)urea
TL;DR: 1,1-Diisobutyl-3-(2,4-xylyl)urea (CAS 122020-33-1) is a chemical compound with molecular formula C17H28N2O and molecular weight 276.22015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-dimethylphenyl)-1,1-bis(2-methylpropyl)urea
Also Known As: 1,1-DIISOBUTYL-3-(2,4-XYLYL)UREA, 3-(2,4-dimethylphenyl)-1,1-bis(2-methylpropyl)urea
Technical Specifications
| Molecular Formula | C17H28N2O |
| Molecular Weight | 276.22015 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.22015 Da |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)N(CC(C)C)CC(C)C)C |
| InChIKey | NGGKSNWWXODOPV-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Diisobutyl-3-(2,4-xylyl)urea
Property Insights of 1,1-Diisobutyl-3-(2,4-xylyl)urea
The XLogP value of 4.1 indicates that 1,1-Diisobutyl-3-(2,4-xylyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 1,1-Diisobutyl-3-(2,4-xylyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diisobutyl-3-(2,4-xylyl)urea 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
What is the CAS number of 1,1-Diisobutyl-3-(2,4-xylyl)urea?
The CAS number of 1,1-Diisobutyl-3-(2,4-xylyl)urea is 122020-33-1.
What is the molecular formula of 1,1-Diisobutyl-3-(2,4-xylyl)urea?
The molecular formula of 1,1-Diisobutyl-3-(2,4-xylyl)urea is C17H28N2O.
What is the molecular weight of 1,1-Diisobutyl-3-(2,4-xylyl)urea?
The molecular weight of 1,1-Diisobutyl-3-(2,4-xylyl)urea is 276.22015 g/mol.
Where can I buy 1,1-Diisobutyl-3-(2,4-xylyl)urea?
You can request a quote for 1,1-Diisobutyl-3-(2,4-xylyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Diisobutyl-3-(2,4-xylyl)urea?
Yes, CoreyChem provides custom synthesis services for 1,1-Diisobutyl-3-(2,4-xylyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.