Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride
TL;DR: Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride (CAS 68657-04-5) is a chemical compound with molecular formula C17H27ClN4O and molecular weight 338.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-diethylphenyl)-3-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)urea;hydrochloride
Also Known As: Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride, N-(2,6-Diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-urea hydrochloride, 1-(2,6-diethylphenyl)-3-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)urea hydrochloride, N-(2,6-Diethylphenyl)-N'-[(2E)-1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl]urea--hydrogen chloride (1/1), RefChem:387867
| Molecular Formula | C17H27ClN4O |
|---|---|
| Molecular Weight | 338.19 g/mol |
| LogP | 3.4842 |
| Topological Polar Surface Area | 65.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.18735 |
| Heavy Atoms | 23 |
| Complexity | 523.14496 |
Chemical Identifiers
| CAS Number | 68657-04-5 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)NC2=NCCCCCN2.Cl |
Product Overview
Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride (CAS 68657-04-5), with molecular formula C17H27ClN4O and molecular weight 338.19 g/mol. IUPAC: 1-(2,6-diethylphenyl)-3-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)urea;hydrochloride.
Chemical Property Profile of Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride
Property Insights of Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride
The XLogP value of 3.4842 indicates that Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride has 3 hydrogen bond donor(s) and 3 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-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride?
The CAS number of Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride is 68657-04-5.
What is the molecular formula of Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride?
The molecular formula of Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride is C17H27ClN4O.
What is the molecular weight of Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride?
The molecular weight of Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride is 338.19 g/mol.
Where can I buy Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride?
You can request a quote for Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, 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-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2,6-diethylphenyl)-N'-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.