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 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C22H27ClFNO2 |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 5.0986 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.17145 |
| Heavy Atoms | 27 |
| Complexity | 730.3476 |
Chemical Identifiers
| CAS Number | 110345-35-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C(CN2CCCCCC2)C3=CC=CC=C3)F.Cl |
Product Overview
3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride (CAS 110345-35-2), with molecular formula C22H27ClFNO2 and molecular weight 391.17 g/mol. IUPAC: 3-(azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-one;hydrochloride.
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 29.54 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 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 391.17 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride?
Yes, KEHONG BIO 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.