1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride
TL;DR: 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride (CAS 118564-55-9) is a chemical compound with molecular formula C18H29ClN2O and molecular weight 324.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-N-(2,6-dimethylphenyl)butanamide;hydrochloride
Also Known As: 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride, N-(2,6-Dimethylphenyl)-alpha-ethyl-1H-hexahydroazepine-1-acetamide monohydrochloride, 2-(azepan-1-yl)-N-(2,6-dimethylphenyl)butanamide hydrochloride, 2-(Azepan-1-yl)-N-(2,6-dimethylphenyl)butanimidic acid--hydrogen chloride (1/1), RefChem:1057795
| Molecular Formula | C18H29ClN2O |
|---|---|
| Molecular Weight | 324.20 g/mol |
| LogP | 4.31834 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.19684 |
| Heavy Atoms | 22 |
| Complexity | 461.72556 |
Chemical Identifiers
| CAS Number | 118564-55-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C=CC=C1C)C)N2CCCCCC2.Cl |
Product Overview
1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride (CAS 118564-55-9), with molecular formula C18H29ClN2O and molecular weight 324.20 g/mol. IUPAC: 2-(azepan-1-yl)-N-(2,6-dimethylphenyl)butanamide;hydrochloride.
Chemical Property Profile of 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride
Property Insights of 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride
The XLogP value of 4.31834 indicates that 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, 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-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, 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-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride?
The CAS number of 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride is 118564-55-9.
What is the molecular formula of 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride?
The molecular formula of 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride is C18H29ClN2O.
What is the molecular weight of 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride?
The molecular weight of 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride is 324.20 g/mol.
Where can I buy 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride?
You can request a quote for 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, 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-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-ethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.