Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride
TL;DR: Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride (CAS 68656-97-3) is a chemical compound with molecular formula C14H21ClN4O2 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)urea;hydrochloride
Also Known As: Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride, 1-(3,4,7,8-Tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-3-(2,6-xylyl)-U rea hydrochloride, 1-(2,6-dimethylphenyl)-3-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)urea hydrochloride, N-(2,6-Dimethylphenyl)-N'-[(5E)-3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl]urea--hydrogen chloride (1/1), RefChem:387885
| Molecular Formula | C14H21ClN4O2 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 1.82254 |
| Topological Polar Surface Area | 74.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.1353 |
| Heavy Atoms | 21 |
| Complexity | 499.44553 |
Chemical Identifiers
| CAS Number | 68656-97-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCOCCN2.Cl |
Product Overview
Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride (CAS 68656-97-3), with molecular formula C14H21ClN4O2 and molecular weight 312.14 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)urea;hydrochloride.
Chemical Property Profile of Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride
Property Insights of Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride
The XLogP value of 1.82254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride. The TPSA of 74.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride has 3 hydrogen bond donor(s) and 4 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-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride?
The CAS number of Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride is 68656-97-3.
What is the molecular formula of Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride?
The molecular formula of Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride is C14H21ClN4O2.
What is the molecular weight of Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride?
The molecular weight of Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride is 312.14 g/mol.
Where can I buy Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride?
You can request a quote for Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-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-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2,6-dimethylphenyl)-N'-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.