3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride
TL;DR: 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride (CAS 110345-35-2) is a chemical compound with molecular formula C22H27ClFNO2 and molecular weight 391.17145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-one;hydrochloride
Also Known As: 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride, Propiophenone, 3'-fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenyl-, hydrochloride, 1-Propanone, 1-(3-fluoro-4-methoxyphenyl)-3-(hexahydro-1H-azepin-1-yl)-2-phenyl-, HCl, 3-(azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-one hydrochloride, 3-(Azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C22H27ClFNO2 |
| Molecular Weight | 391.17145 g/mol |
| XLogP | 5.0986 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.17145 Da |
| Heavy Atoms | 27 |
| Complexity | 430.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)C(CN2CCCCCC2)C3=CC=CC=C3)F.Cl |
| InChIKey | RBCYFOOAWGAKCI-UHFFFAOYSA-N |
Chemical Property Profile of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride
Property Insights of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride
The XLogP value of 5.0986 indicates that 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride?
The CAS number of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride is 110345-35-2.
What is the molecular formula of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride?
The molecular formula of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride is C22H27ClFNO2.
What is the molecular weight of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride?
The molecular weight of 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride is 391.17145 g/mol.
Where can I buy 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride?
You can request a quote for 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.