1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl
TL;DR: 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl (CAS 120698-39-7) is a chemical compound with molecular formula C34H48Cl2F2N2O2 and molecular weight 624.3061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione;dihydrochloride
Also Known As: 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl, 1,8-Octanedione, 1,8-bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride, 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-fluorophenyl)octane-1,8-dione dihydrochloride, 2,7-Bis[(azepan-1-yl)methyl]-1,8-bis(4-fluorophenyl)octane-1,8-dione--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C34H48Cl2F2N2O2 |
| Molecular Weight | 624.3061 g/mol |
| XLogP | 8.4188 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.3061 Da |
| Heavy Atoms | 42 |
| Complexity | 670.0 |
| SMILES | C1CCCN(CC1)CC(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | KJXOXMZLQWFOCR-UHFFFAOYSA-N |
Chemical Property Profile of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl
Property Insights of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl
The XLogP value of 8.4188 indicates that 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl?
The CAS number of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl is 120698-39-7.
What is the molecular formula of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl?
The molecular formula of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl is C34H48Cl2F2N2O2.
What is the molecular weight of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl?
The molecular weight of 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl is 624.3061 g/mol.
Where can I buy 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl?
You can request a quote for 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl?
Yes, CoreyChem provides custom synthesis services for 1,8-Bis(4-fluorophenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.