RefChem:221911
TL;DR: RefChem:221911 (CAS 120698-33-1) is a chemical compound with molecular formula C34H50Cl2N2O2 and molecular weight 588.32495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-bis(azepan-1-ylmethyl)-1,8-diphenyloctane-1,8-dione;dihydrochloride
Also Known As: 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-diphenyl-1,8-octanedione dihydrochloride, 1,8-Octanedione, 2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-diphenyl-, dihydrochloride, 2,7-bis(azepan-1-ylmethyl)-1,8-diphenyloctane-1,8-dione dihydrochloride, 2,7-Bis[(azepan-1-yl)methyl]-1,8-diphenyloctane-1,8-dione--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C34H50Cl2N2O2 |
| Molecular Weight | 588.32495 g/mol |
| XLogP | 8.1406 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 588.32495 Da |
| Heavy Atoms | 40 |
| Complexity | 608.0 |
| SMILES | C1CCCN(CC1)CC(CCCCC(CN2CCCCCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | MQSVEQWTRBEFGG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:221911
Property Insights of RefChem:221911
The XLogP value of 8.1406 indicates that RefChem:221911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:221911 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221911 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 RefChem:221911?
The CAS number of RefChem:221911 is 120698-33-1.
What is the molecular formula of RefChem:221911?
The molecular formula of RefChem:221911 is C34H50Cl2N2O2.
What is the molecular weight of RefChem:221911?
The molecular weight of RefChem:221911 is 588.32495 g/mol.
Where can I buy RefChem:221911?
You can request a quote for RefChem:221911 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:221911?
Yes, CoreyChem provides custom synthesis services for RefChem:221911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.