Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride
TL;DR: Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride (CAS 68656-80-4) is a chemical compound with molecular formula C17H21ClN4O and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(N'-benzylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea;hydrochloride
Also Known As: 1-Benzylamidino-3-(2,6-xylyl)-urea hydrochloride, Urea, 1-benzylamidino-3-(2,6-xylyl)-, hydrochloride, Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride, N-((Benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)urea hydrochloride, 1-(N'-benzylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea hydrochloride
| Molecular Formula | C17H21ClN4O |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 3.36164 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.14038 |
| Heavy Atoms | 23 |
| Complexity | 665.9977 |
Chemical Identifiers
| CAS Number | 68656-80-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC2=CC=CC=C2)N.Cl |
Product Overview
Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride (CAS 68656-80-4), with molecular formula C17H21ClN4O and molecular weight 332.14 g/mol. IUPAC: 1-(N'-benzylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea;hydrochloride.
Chemical Property Profile of Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride
Property Insights of Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride
The XLogP value of 3.36164 indicates that Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, 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-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride?
The CAS number of Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride is 68656-80-4.
What is the molecular formula of Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride?
The molecular formula of Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride is C17H21ClN4O.
What is the molecular weight of Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride?
The molecular weight of Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride is 332.14 g/mol.
Where can I buy Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride?
You can request a quote for Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, 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-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-((benzylamino)iminomethyl)-N'-(2,6-dimethylphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.