Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride
TL;DR: Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride (CAS 111475-15-1) is a chemical compound with molecular formula C17H26ClNO and molecular weight 295.1703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride
Also Known As: 1-(2-benzoylbutyl)azepanium chloride, 2-((Hexahydro-1H-azepin-1-yl)methyl)butyrophenone hydrochloride, 2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride, 2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one, BUTYROPHENONE, 2-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-, HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C17H26ClNO |
| Molecular Weight | 295.1703 g/mol |
| XLogP | -0.64 |
| Topological Polar Surface Area (TPSA) | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.1703 Da |
| Heavy Atoms | 20 |
| Complexity | 262.0 |
| SMILES | CCC(C[NH+]1CCCCCC1)C(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | ANRAAPIPUFBQJQ-UHFFFAOYSA-N |
Chemical Property Profile of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride
Property Insights of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride
The XLogP value of -0.64 indicates that Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride 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
What is the CAS number of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride?
The CAS number of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride is 111475-15-1.
What is the molecular formula of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride?
The molecular formula of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride is C17H26ClNO.
What is the molecular weight of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride?
The molecular weight of Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride is 295.1703 g/mol.
Where can I buy Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride?
You can request a quote for Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.