Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride
TL;DR: Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride (CAS 68656-56-4) 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-(N'-propylcarbamimidoyl)-3-[4-(trifluoromethyl)phenyl]urea;hydrochloride
Also Known As: Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride, Urea, 1-propylamidino-3-(alpha,alpha,alpha-trifluoro-p-tolyl)-, hydrochloride, N-(Imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-urea hydrochloride, 1-(N'-propylcarbamimidoyl)-3-[4-(trifluoromethyl)phenyl]urea hydrochloride, N-(N'-Propylcarbamimidoyl)-N'-[4-(trifluoromethyl)phenyl]urea--hydrogen chloride (1/1)
| Molecular Formula | C12H16ClF3N4O |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 2.9734 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.09647 |
| Heavy Atoms | 21 |
| Complexity | 488.27106 |
Chemical Identifiers
| CAS Number | 68656-56-4 |
|---|---|
| SMILES | CCCN=C(N)NC(=O)NC1=CC=C(C=C1)C(F)(F)F.Cl |
Product Overview
Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride (CAS 68656-56-4), with molecular formula C12H16ClF3N4O and molecular weight 324.10 g/mol. IUPAC: 1-(N'-propylcarbamimidoyl)-3-[4-(trifluoromethyl)phenyl]urea;hydrochloride.
Chemical Property Profile of Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride
Property Insights of Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride
The XLogP value of 2.9734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, 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-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride?
The CAS number of Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride is 68656-56-4.
What is the molecular formula of Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride?
The molecular formula of Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride is C12H16ClF3N4O.
What is the molecular weight of Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride?
The molecular weight of Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride is 324.10 g/mol.
Where can I buy Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride?
You can request a quote for Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, 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-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(imino(propylamino)methyl)-N'-(4-(trifluoromethyl)phenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.