Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride
TL;DR: Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride (CAS 68656-84-8) is a chemical compound with molecular formula C12H16ClF3N4O and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea;hydrochloride
Also Known As: Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride, Urea, 1-(2,2,2-trifluoroethyl)amidino-3-(2,6-xylyl)-, hydrochloride, 1-(2,2,2-Trifluoroethyl)amidino-3-(2,6-xylyl)-urea hydrochloride, 1-(2,6-dimethylphenyl)-3-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea hydrochloride, 1-(2,6-dimethylphenylcarbamoyl)-3-(2,2,2-trifluoroethyl) guanidine hydrochloride
| Molecular Formula | C12H16ClF3N4O |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 2.72374 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.09647 |
| Heavy Atoms | 21 |
| Complexity | 511.4741 |
Chemical Identifiers
| CAS Number | 68656-84-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC(F)(F)F)N.Cl |
Product Overview
Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride (CAS 68656-84-8), with molecular formula C12H16ClF3N4O and molecular weight 324.10 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea;hydrochloride.
Chemical Property Profile of Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride
Property Insights of Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride
The XLogP value of 2.72374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride has 3 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-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride?
The CAS number of Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride is 68656-84-8.
What is the molecular formula of Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride?
The molecular formula of Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride is C12H16ClF3N4O.
What is the molecular weight of Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride?
The molecular weight of Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride is 324.10 g/mol.
Where can I buy Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride?
You can request a quote for Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2,6-dimethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.