1-Isopropyl-3-(3,5-xylyl)urea
TL;DR: 1-Isopropyl-3-(3,5-xylyl)urea (CAS 100076-49-1) 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-(3,5-dimethylphenyl)-3-propan-2-ylurea
Also Known As: 1-ISOPROPYL-3-(3,5-XYLYL)UREA, 1-(3,5-Dimethyl-phenyl)-3-isopropyl-urea, 3,5-dimethyl-1-(3-isopropylureido)benzene, 1-(3,5-dimethylphenyl)-3-propan-2-ylurea, 3-(3,5-dimethylphenyl)-1-propan-2-yl-urea
Technical Specifications
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.1419 g/mol |
| XLogP | 2.8 |
| 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 | 206.0 |
| SMILES | CC1=CC(=CC(=C1)NC(=O)NC(C)C)C |
| InChIKey | CISRMVBYLJIVTC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Isopropyl-3-(3,5-xylyl)urea
Property Insights of 1-Isopropyl-3-(3,5-xylyl)urea
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isopropyl-3-(3,5-xylyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Isopropyl-3-(3,5-xylyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyl-3-(3,5-xylyl)urea 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 1-Isopropyl-3-(3,5-xylyl)urea?
The CAS number of 1-Isopropyl-3-(3,5-xylyl)urea is 100076-49-1.
What is the molecular formula of 1-Isopropyl-3-(3,5-xylyl)urea?
The molecular formula of 1-Isopropyl-3-(3,5-xylyl)urea is C12H18N2O.
What is the molecular weight of 1-Isopropyl-3-(3,5-xylyl)urea?
The molecular weight of 1-Isopropyl-3-(3,5-xylyl)urea is 206.1419 g/mol.
Where can I buy 1-Isopropyl-3-(3,5-xylyl)urea?
You can request a quote for 1-Isopropyl-3-(3,5-xylyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Isopropyl-3-(3,5-xylyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-Isopropyl-3-(3,5-xylyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.