Urea, N'-(4-cyanophenyl)-N,N-dimethyl-
TL;DR: Urea, N'-(4-cyanophenyl)-N,N-dimethyl- (CAS 82261-41-4) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-cyanophenyl)-1,1-dimethylurea
Also Known As: 1-(4-cyanophenyl)-3,3-dimethylurea, 3-(4-cyanophenyl)-1,1-dimethylurea, Urea, N'-(4-cyanophenyl)-N,N-dimethyl-, N'-(4-Cyanophenyl)-N,N-dimethylurea, (CH3)2N-CH=N-(4-cyanophenyl)
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 82261-41-4 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC=C(C=C1)C#N |
| InChIKey | RUQIHUKZFGRXLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, N'-(4-cyanophenyl)-N,N-dimethyl- (CAS 82261-41-4), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 3-(4-cyanophenyl)-1,1-dimethylurea.
Chemical Property Profile of Urea, N'-(4-cyanophenyl)-N,N-dimethyl-
Property Insights of Urea, N'-(4-cyanophenyl)-N,N-dimethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N'-(4-cyanophenyl)-N,N-dimethyl-. With a topological polar surface area (TPSA) of 56.1 Ų, Urea, N'-(4-cyanophenyl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N'-(4-cyanophenyl)-N,N-dimethyl- 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
Frequently Asked Questions
What is the CAS number of Urea, N'-(4-cyanophenyl)-N,N-dimethyl-?
The CAS number of Urea, N'-(4-cyanophenyl)-N,N-dimethyl- is 82261-41-4.
What is the molecular formula of Urea, N'-(4-cyanophenyl)-N,N-dimethyl-?
The molecular formula of Urea, N'-(4-cyanophenyl)-N,N-dimethyl- is C10H11N3O.
What is the molecular weight of Urea, N'-(4-cyanophenyl)-N,N-dimethyl-?
The molecular weight of Urea, N'-(4-cyanophenyl)-N,N-dimethyl- is 189.09 g/mol.
Where can I buy Urea, N'-(4-cyanophenyl)-N,N-dimethyl-?
You can request a quote for Urea, N'-(4-cyanophenyl)-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N'-(4-cyanophenyl)-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N'-(4-cyanophenyl)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.