N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride
TL;DR: N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride (CAS 65009-45-2) is a chemical compound with molecular formula C13H21ClN4O and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
Also Known As: BISAMIDINE HYDROCHLORIDE, N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride, 1-(2,6-Diethylphenyl)-3-methylamidino-urea hydrochloride, Urea, 1-(2,6-diethylphenyl)-3-methylamidino-, hydrochloride, Urea, N-(2,6-diethylphenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride
| Molecular Formula | C13H21ClN4O |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.14038 |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 65009-45-2 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NC)N.Cl |
| InChIKey | MYTQEIDAEPHOMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride (CAS 65009-45-2), with molecular formula C13H21ClN4O and molecular weight 284.14 g/mol. IUPAC: 1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride
Property Insights of N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride. Following Lipinski's Rule of Five, N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride has 4 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 N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride?
The CAS number of N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride is 65009-45-2.
What is the molecular formula of N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride?
The molecular formula of N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride is C13H21ClN4O.
What is the molecular weight of N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride?
The molecular weight of N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride is 284.14 g/mol.
Where can I buy N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride?
You can request a quote for N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.