alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride
TL;DR: alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride (CAS 110345-39-6) is a chemical compound with molecular formula C22H29ClFNO2 and molecular weight 393.18707 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-ol;hydrochloride
Also Known As: alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride, 1H-Azepine-1-propanol, hexahydro-alpha-(3-fluoro-4-methoxyphenyl)-beta-phenyl-, hydrochloride, 3-(azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol hydrochloride, 3-(azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol;hydrochloride, 3-(Azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C22H29ClFNO2 |
| Molecular Weight | 393.18707 g/mol |
| XLogP | 4.9493 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.18707 Da |
| Heavy Atoms | 27 |
| Complexity | 394.0 |
| SMILES | COC1=C(C=C(C=C1)C(C(CN2CCCCCC2)C3=CC=CC=C3)O)F.Cl |
| InChIKey | DAGVZENKLQFYTQ-UHFFFAOYSA-N |
Chemical Property Profile of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride
Property Insights of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride
The XLogP value of 4.9493 indicates that alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride?
The CAS number of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride is 110345-39-6.
What is the molecular formula of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride?
The molecular formula of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride is C22H29ClFNO2.
What is the molecular weight of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride?
The molecular weight of alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride is 393.18707 g/mol.
Where can I buy alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride?
You can request a quote for alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride?
Yes, CoreyChem provides custom synthesis services for alpha-(3-Fluoro-4-methoxyphenyl)-beta-phenylhexahydro-1H-azepine-1-propanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.