1,1-Dimethyl-3-quinolin-3-ylurea
TL;DR: 1,1-Dimethyl-3-quinolin-3-ylurea (CAS 122131-52-6) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethyl-3-quinolin-3-ylurea
Also Known As: 1,1-dimethyl-3-quinolin-3-ylurea, 1,1-Dimethyl-3-quinolin-3-yl-urea, 1,1-dimethyl-3-(3-quinolyl)urea, 1,1-dimethyl-3-(3-quinolinyl)urea, 1,1-dimethyl-3-(quinolin-3-yl)urea
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13N3O |
| Molecular Weight | 215.10587 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.10587 Da |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
| SMILES | CN(C)C(=O)NC1=CC2=CC=CC=C2N=C1 |
| InChIKey | WQCIBVHCNRYPDL-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Dimethyl-3-quinolin-3-ylurea
Property Insights of 1,1-Dimethyl-3-quinolin-3-ylurea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-3-quinolin-3-ylurea. With a topological polar surface area (TPSA) of 45.2 Ų, 1,1-Dimethyl-3-quinolin-3-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-3-quinolin-3-ylurea has 1 hydrogen bond donor(s) and 2 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-Dimethyl-3-quinolin-3-ylurea?
The CAS number of 1,1-Dimethyl-3-quinolin-3-ylurea is 122131-52-6.
What is the molecular formula of 1,1-Dimethyl-3-quinolin-3-ylurea?
The molecular formula of 1,1-Dimethyl-3-quinolin-3-ylurea is C12H13N3O.
What is the molecular weight of 1,1-Dimethyl-3-quinolin-3-ylurea?
The molecular weight of 1,1-Dimethyl-3-quinolin-3-ylurea is 215.10587 g/mol.
Where can I buy 1,1-Dimethyl-3-quinolin-3-ylurea?
You can request a quote for 1,1-Dimethyl-3-quinolin-3-ylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dimethyl-3-quinolin-3-ylurea?
Yes, CoreyChem provides custom synthesis services for 1,1-Dimethyl-3-quinolin-3-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.