2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride
TL;DR: 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride (CAS 104802-58-6) is a chemical compound with molecular formula C29H40Cl2N2O2 and molecular weight 518.2467 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-diphenylpentane-1,5-dione;dihydrochloride
Also Known As: 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride, 1,5-Pentanedione, 2,4-bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-, dihydrochloride, 2,4-bis(azepan-1-yl)-1,5-diphenylpentane-1,5-dione dihydrochloride, 2,4-Bis(azepan-1-yl)-1,5-diphenylpentane-1,5-dione--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C29H40Cl2N2O2 |
| Molecular Weight | 518.2467 g/mol |
| XLogP | 6.4751 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.2467 Da |
| Heavy Atoms | 35 |
| Complexity | 541.0 |
| SMILES | C1CCCN(CC1)C(CC(C(=O)C2=CC=CC=C2)N3CCCCCC3)C(=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | OCMJSBLBSQIDQT-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride
Property Insights of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride
The XLogP value of 6.4751 indicates that 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-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 40.6 Ų, 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-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-diphenyl-1,5-pentanedione dihydrochloride has 2 hydrogen bond donor(s) and 4 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-diphenyl-1,5-pentanedione dihydrochloride?
The CAS number of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride is 104802-58-6.
What is the molecular formula of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride?
The molecular formula of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride is C29H40Cl2N2O2.
What is the molecular weight of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride?
The molecular weight of 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride is 518.2467 g/mol.
Where can I buy 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride?
You can request a quote for 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-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-diphenyl-1,5-pentanedione dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-diphenyl-1,5-pentanedione dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.