1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
TL;DR: 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride (CAS 118564-57-1) is a chemical compound with molecular formula C19H31ClN2O and molecular weight 338.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide;hydrochloride
Also Known As: 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride, alpha-Ethyl-N-(2,4,6-trimethylphenyl)-1H-hexahydroazepine-1-acetamide monohydrochloride, 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide hydrochloride, 2-(Azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanimidic acid--hydrogen chloride (1/1), RefChem:1057790
| Molecular Formula | C19H31ClN2O |
|---|---|
| Molecular Weight | 338.21 g/mol |
| LogP | 4.62676 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.2125 |
| Heavy Atoms | 23 |
| Complexity | 499.09604 |
Chemical Identifiers
| CAS Number | 118564-57-1 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C=C(C=C1C)C)C)N2CCCCCC2.Cl |
Product Overview
1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride (CAS 118564-57-1), with molecular formula C19H31ClN2O and molecular weight 338.21 g/mol. IUPAC: 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide;hydrochloride.
Chemical Property Profile of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
Property Insights of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
The XLogP value of 4.62676 indicates that 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride has 1 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 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride?
The CAS number of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride is 118564-57-1.
What is the molecular formula of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride?
The molecular formula of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride is C19H31ClN2O.
What is the molecular weight of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride?
The molecular weight of 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride is 338.21 g/mol.
Where can I buy 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride?
You can request a quote for 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.