2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride
TL;DR: 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride (CAS 104802-59-7) is a chemical compound with molecular formula C31H44Cl2N2O4 and molecular weight 578.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
Also Known As: 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride, 1,5-Pentanedione, 2,4-bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-, dihydrochloride, 2,4-Bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione--hydrogen chloride (1/2), 2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride, RefChem:1059670
| Molecular Formula | C31H44Cl2N2O4 |
|---|---|
| Molecular Weight | 578.27 g/mol |
| LogP | 6.4923 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.2678 |
| Heavy Atoms | 39 |
| Complexity | 918.7539 |
Chemical Identifiers
| CAS Number | 104802-59-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OC)N3CCCCCC3)N4CCCCCC4.Cl.Cl |
Product Overview
2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride (CAS 104802-59-7), with molecular formula C31H44Cl2N2O4 and molecular weight 578.27 g/mol. IUPAC: 2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride.
Chemical Property Profile of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride
Property Insights of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride
The XLogP value of 6.4923 indicates that 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione 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, 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione 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 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride?
The CAS number of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride is 104802-59-7.
What is the molecular formula of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride?
The molecular formula of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride is C31H44Cl2N2O4.
What is the molecular weight of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride?
The molecular weight of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride is 578.27 g/mol.
Where can I buy 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride?
You can request a quote for 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.