Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride
TL;DR: Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride (CAS 66871-50-9) is a chemical compound with molecular formula C15H23ClN4O and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-diethylphenyl)-3-(N'-prop-2-enylcarbamimidoyl)urea;hydrochloride
Also Known As: 1-Allylamidino-3-(2,6-diethylphenyl)urea hydrochloride, Urea, 1-allylamidino-3-(2,6-diethylphenyl)-, hydrochloride, Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride, N-((Allylamino)iminomethyl)-N'-(2,6-diethylphenyl)urea hydrochloride, 1-(2,6-diethylphenyl)-3-(N'-prop-2-enylcarbamimidoyl)urea hydrochloride
| Molecular Formula | C15H23ClN4O |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 2.8554 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.15604 |
| Heavy Atoms | 21 |
| Complexity | 492.1451 |
Chemical Identifiers
| CAS Number | 66871-50-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NCC=C)N.Cl |
Product Overview
Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride (CAS 66871-50-9), with molecular formula C15H23ClN4O and molecular weight 310.16 g/mol. IUPAC: 1-(2,6-diethylphenyl)-3-(N'-prop-2-enylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride
Property Insights of Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride
The XLogP value of 2.8554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, 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-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride?
The CAS number of Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride is 66871-50-9.
What is the molecular formula of Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride?
The molecular formula of Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride is C15H23ClN4O.
What is the molecular weight of Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride?
The molecular weight of Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride is 310.16 g/mol.
Where can I buy Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride?
You can request a quote for Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, 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-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-((allylamino)iminomethyl)-N'-(2,6-diethylphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.