2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl
TL;DR: 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl (CAS 120698-34-2) is a chemical compound with molecular formula C36H54Cl2N2O4 and molecular weight 648.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione;dihydrochloride
Also Known As: 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl, 1,8-Octanedione, 2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-, dihydrochloride, 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione dihydrochloride, 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione;dihydrochloride, 2,7-Bis[(azepan-1-yl)methyl]-1,8-bis(4-methoxyphenyl)octane-1,8-dione--hydrogen chloride (1/2)
| Molecular Formula | C36H54Cl2N2O4 |
|---|---|
| Molecular Weight | 648.35 g/mol |
| LogP | 8.1578 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 648.34607 |
| Heavy Atoms | 44 |
| Complexity | 992.81976 |
Chemical Identifiers
| CAS Number | 120698-34-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OC)CN4CCCCCC4.Cl.Cl |
Product Overview
2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl (CAS 120698-34-2), with molecular formula C36H54Cl2N2O4 and molecular weight 648.35 g/mol. IUPAC: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione;dihydrochloride.
Chemical Property Profile of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl
Property Insights of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl
The XLogP value of 8.1578 indicates that 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-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 59.08 Ų, 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-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-methoxyphenyl)-1,8-octanedione 2HCl has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl?
The CAS number of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl is 120698-34-2.
What is the molecular formula of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl?
The molecular formula of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl is C36H54Cl2N2O4.
What is the molecular weight of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl?
The molecular weight of 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl is 648.35 g/mol.
Where can I buy 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl?
You can request a quote for 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-bis(4-methoxyphenyl)-1,8-octanedione 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.