RefChem:1059669
TL;DR: RefChem:1059669 (CAS 104802-60-0) is a chemical compound with molecular formula C33H48Cl2N2O4 and molecular weight 606.29913 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-ethoxyphenyl)pentane-1,5-dione;dihydrochloride
Also Known As: 1,5-Bis(4-ethoxyphenyl)-2,4-bis(hexahydro-1H-azepin-1-yl)-,1,5-pentanedione dihydrochloride, 1,5-Pentanedione, 1,5-bis(4-ethoxyphenyl)-2,4-bis(hexahydro-1H-azepin-1-yl)-, dihydrochloride, 2,4-Bis(azepan-1-yl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione--hydrogen chloride (1/2), 2,4-bis(azepan-1-yl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione dihydrochloride
Technical Specifications
| Molecular Formula | C33H48Cl2N2O4 |
| Molecular Weight | 606.29913 g/mol |
| XLogP | 7.2725 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.29913 Da |
| Heavy Atoms | 41 |
| Complexity | 653.0 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OCC)N3CCCCCC3)N4CCCCCC4.Cl.Cl |
| InChIKey | DMXKIZYLESFOQJ-UHFFFAOYSA-N |
Product Description
Applications: RefChem:1059669 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies RefChem:1059669 (CAS 104802-60-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
RefChem:1059669 (CAS 104802-60-0) is a fine chemical with the molecular formula C33H48Cl2N2O4 and a molecular weight of 606.3 g/mol. It is also known as 1,5-Bis(4-ethoxyphenyl)-2,4-bis(hexahydro-1H-azepin-1-yl)-,1,5-pentanedione dihydrochloride and 1,5-Pentanedione, 1,5-bis(4-ethoxyphenyl)-2,4-bis(hexahydro-1H-azepin-1-yl)-, dihydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of RefChem:1059669
Property Insights of RefChem:1059669
The XLogP value of 7.2725 indicates that RefChem:1059669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, RefChem:1059669 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059669 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 RefChem:1059669?
The CAS number of RefChem:1059669 is 104802-60-0.
What is the molecular formula of RefChem:1059669?
The molecular formula of RefChem:1059669 is C33H48Cl2N2O4.
What is the molecular weight of RefChem:1059669?
The molecular weight of RefChem:1059669 is 606.29913 g/mol.
What are the applications of RefChem:1059669?
RefChem:1059669 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies RefChem:1059669 (CAS 104802-60-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy RefChem:1059669?
You can request a quote for RefChem:1059669 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1059669?
Yes, CoreyChem provides custom synthesis services for RefChem:1059669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.