2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl
TL;DR: 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl (CAS 120698-36-4) is a chemical compound with molecular formula C40H62Cl2N2O4 and molecular weight 704.4087 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-propoxyphenyl)octane-1,8-dione;dihydrochloride
Also Known As: 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl, 1,8-Octanedione, 2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-, dihydrochloride, 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride, 2,7-Bis[(azepan-1-yl)methyl]-1,8-bis(4-propoxyphenyl)octane-1,8-dione--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C40H62Cl2N2O4 |
| Molecular Weight | 704.4087 g/mol |
| XLogP | 9.7182 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 704.4087 Da |
| Heavy Atoms | 48 |
| Complexity | 751.0 |
| SMILES | CCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCCC4.Cl.Cl |
| InChIKey | INDIATDZVDVCMJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl
Property Insights of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl
The XLogP value of 9.7182 indicates that 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-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 59.1 Ų, 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-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 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl?
The CAS number of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl is 120698-36-4.
What is the molecular formula of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl?
The molecular formula of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl is C40H62Cl2N2O4.
What is the molecular weight of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl?
The molecular weight of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl is 704.4087 g/mol.
Where can I buy 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl?
You can request a quote for 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl?
Yes, CoreyChem provides custom synthesis services for 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-propoxyphenyl)-1,8-octanedione 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.