2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl
TL;DR: 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl (CAS 104802-68-8) is a chemical compound with molecular formula C37H56Cl2N2O4 and molecular weight 662.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione;dihydrochloride
Also Known As: 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl, 1,5-Pentanedione, 2,4-bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-, dihydrochloride, 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride, 2,4-Bis[(azepan-1-yl)methyl]-1,5-bis(4-propoxyphenyl)pentane-1,5-dione--hydrogen chloride (1/2), RefChem:221443
| Molecular Formula | C37H56Cl2N2O4 |
|---|---|
| Molecular Weight | 662.36 g/mol |
| LogP | 8.5479 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 662.3617 |
| Heavy Atoms | 45 |
| Complexity | 1008.9099 |
Chemical Identifiers
| CAS Number | 104802-68-8 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)C(CC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCCC4.Cl.Cl |
Product Overview
2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl (CAS 104802-68-8), with molecular formula C37H56Cl2N2O4 and molecular weight 662.36 g/mol. IUPAC: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione;dihydrochloride.
Chemical Property Profile of 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl
Property Insights of 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl
The XLogP value of 8.5479 indicates that 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 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, 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 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 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl?
The CAS number of 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl is 104802-68-8.
What is the molecular formula of 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl?
The molecular formula of 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl is C37H56Cl2N2O4.
What is the molecular weight of 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl?
The molecular weight of 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl is 662.36 g/mol.
Where can I buy 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl?
You can request a quote for 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl 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)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.