Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride
TL;DR: Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride (CAS 68656-96-2) is a chemical compound with molecular formula C15H23ClN4O and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-(1-methyl-4,5,6,7-tetrahydro-1,3-diazepin-2-yl)urea;hydrochloride
Also Known As: Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride, 1-(4,5,6,7-Tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-3-(2,6-xylyl)urea hydrochloride, 1-(2,6-dimethylphenyl)-3-(1-methyl-4,5,6,7-tetrahydro-1,3-diazepin-2-yl)urea hydrochloride, N-(2,6-Dimethylphenyl)-N'-(1-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea--hydrogen chloride (1/1), RefChem:387886
| Molecular Formula | C15H23ClN4O |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 2.92834 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.15604 |
| Heavy Atoms | 21 |
| Complexity | 510.15494 |
Chemical Identifiers
| CAS Number | 68656-96-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCCCN2C.Cl |
Product Overview
Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride (CAS 68656-96-2), with molecular formula C15H23ClN4O and molecular weight 310.16 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-(1-methyl-4,5,6,7-tetrahydro-1,3-diazepin-2-yl)urea;hydrochloride.
Chemical Property Profile of Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride
Property Insights of Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride
The XLogP value of 2.92834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride. With a topological polar surface area (TPSA) of 56.73 Ų, Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride has 2 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-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride?
The CAS number of Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride is 68656-96-2.
What is the molecular formula of Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride?
The molecular formula of Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride is C15H23ClN4O.
What is the molecular weight of Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride?
The molecular weight of Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride is 310.16 g/mol.
Where can I buy Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride?
You can request a quote for Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-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-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2,6-dimethylphenyl)-N'-(4,5,6,7-tetrahydro-1-methyl-1H-1,3-diazepin-2-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.