1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea
TL;DR: 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea (CAS 1024516-86-6) 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-(4-cyanophenyl)-3-(cyclopropylmethyl)urea
Also Known As: 1-(4-cyanophenyl)-3-(cyclopropylmethyl)urea, 3-(4-cyanophenyl)-1-(cyclopropylmethyl)urea, AB00044196-01
Technical Specifications
| Molecular Formula | C12H13N3O |
| Molecular Weight | 215.10587 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.10587 Da |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| SMILES | C1CC1CNC(=O)NC2=CC=C(C=C2)C#N |
| InChIKey | HOEZQBAEUIQIKR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea
Property Insights of 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea. Following Lipinski's Rule of Five, 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea has 2 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-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea?
The CAS number of 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea is 1024516-86-6.
What is the molecular formula of 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea?
The molecular formula of 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea is C12H13N3O.
What is the molecular weight of 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea?
The molecular weight of 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea is 215.10587 g/mol.
Where can I buy 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea?
You can request a quote for 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(4-Cyanophenyl)-3-(cyclopropylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.