1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride
TL;DR: 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride (CAS 120698-35-3) is a chemical compound with molecular formula C38H58Cl2N2O4 and molecular weight 676.38 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-ethoxyphenyl)octane-1,8-dione;dihydrochloride
Also Known As: 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride, 1,8-Bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl, 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-ethoxyphenyl)octane-1,8-dione dihydrochloride, 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-ethoxyphenyl)octane-1,8-dione;dihydrochloride, 2,7-Bis[(azepan-1-yl)methyl]-1,8-bis(4-ethoxyphenyl)octane-1,8-dione--hydrogen chloride (1/2)
| Molecular Formula | C38H58Cl2N2O4 |
|---|---|
| Molecular Weight | 676.38 g/mol |
| LogP | 8.938 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 676.3774 |
| Heavy Atoms | 46 |
| Complexity | 1023.02576 |
Chemical Identifiers
| CAS Number | 120698-35-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCC)CN4CCCCCC4.Cl.Cl |
Product Overview
1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride (CAS 120698-35-3), with molecular formula C38H58Cl2N2O4 and molecular weight 676.38 g/mol. IUPAC: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-ethoxyphenyl)octane-1,8-dione;dihydrochloride.
Chemical Property Profile of 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride
Property Insights of 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride
The XLogP value of 8.938 indicates that 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride 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 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride?
The CAS number of 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride is 120698-35-3.
What is the molecular formula of 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride?
The molecular formula of 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride is C38H58Cl2N2O4.
What is the molecular weight of 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride?
The molecular weight of 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride is 676.38 g/mol.
Where can I buy 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride?
You can request a quote for 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.