Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride
TL;DR: Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride (CAS 68656-70-2) is a chemical compound with molecular formula C14H23ClN4O and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(diaminomethylidene)-1-(2,6-dimethylphenyl)urea;hydrochloride
Also Known As: Urea, 3-amidino-1-butyl-1-(2,6-dimethylphenyl)-, hydrochloride, 3-Amidino-1-butyl-1-(2,6-dimethylphenyl)-urea hydrochloride, Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride, N'-(Aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)urea hydrochloride, 1-butyl-3-(diaminomethylidene)-1-(2,6-dimethylphenyl)urea hydrochloride
| Molecular Formula | C14H23ClN4O |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 2.72514 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.15604 |
| Heavy Atoms | 20 |
| Complexity | 463.8123 |
Chemical Identifiers
| CAS Number | 68656-70-2 |
|---|---|
| SMILES | CCCCN(C1=C(C=CC=C1C)C)C(=O)N=C(N)N.Cl |
Product Overview
Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride (CAS 68656-70-2), with molecular formula C14H23ClN4O and molecular weight 298.16 g/mol. IUPAC: 1-butyl-3-(diaminomethylidene)-1-(2,6-dimethylphenyl)urea;hydrochloride.
Chemical Property Profile of Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride
Property Insights of Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride
The XLogP value of 2.72514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 1 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'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride?
The CAS number of Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride is 68656-70-2.
What is the molecular formula of Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride?
The molecular formula of Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride is C14H23ClN4O.
What is the molecular weight of Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride?
The molecular weight of Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride is 298.16 g/mol.
Where can I buy Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride?
You can request a quote for Urea, N'-(aminoiminomethyl)-N-butyl-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'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N'-(aminoiminomethyl)-N-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.