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 578.2678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C31H44Cl2N2O4 |
| Molecular Weight | 578.2678 g/mol |
| XLogP | 6.4923 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.2678 Da |
| Heavy Atoms | 39 |
| Complexity | 625.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OC)N3CCCCCC3)N4CCCCCC4.Cl.Cl |
| InChIKey | XAWMRLWZNCTFAF-UHFFFAOYSA-N |
Product Description
Applications: AC1MI7VU is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI7VU (CAS 104802-59-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, AC1MI7VU (CAS 104802-59-7) has the molecular formula C31H44Cl2N2O4 and a molecular weight of 578.27 g/mol. It is also known as 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride and 1,5-Pentanedione, 2,4-bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-, dihydrochloride.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
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 59.1 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 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 2,4-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 578.2678 g/mol.
What are the applications of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride?
AC1MI7VU is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI7VU (CAS 104802-59-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride?
Yes, CoreyChem 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.