RefChem:1074251
TL;DR: RefChem:1074251 (CAS 10066-77-0) is a chemical compound with molecular formula C42H68I2N2O4 and molecular weight 918.32684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[3-[7-[diethyl(methyl)azaniumyl]heptoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxyheptyl-diethyl-methylazanium diiodide
Also Known As: 7-[3-[7-[diethyl(methyl)azaniumyl]heptoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxyheptyl-diethyl-methylazanium diiodide, Ammonium, diethyl(7-hydroxyheptyl)methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1), AMMONIUM, DIETHYL(7-HYDROXYHEPTYL)METHYL-, IODIDE, ESTER with (cis-1,2,trans-1,3, 7,7'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy))bis(N,N-diethyl-N-methylheptan-1-aminium) diiodide, 7,7'-[(2,4-diphenylcyclobutane-1,3-diyl)bis(carbonyloxy)]bis(N,N-diethyl-N-methylheptan-1-aminium) diiodide
Technical Specifications
| Molecular Formula | C42H68I2N2O4 |
| Molecular Weight | 918.32684 g/mol |
| XLogP | 2.77 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 918.32684 Da |
| Heavy Atoms | 50 |
| Complexity | 804.0 |
| SMILES | CC[N+](C)(CC)CCCCCCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCCCCCC[N+](C)(CC)CC)C3=CC=CC=C3.[I-].[I-] |
| InChIKey | HCWQOTFEISPQMI-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:1074251
Property Insights of RefChem:1074251
The XLogP value of 2.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074251. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:1074251 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074251 has 0 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:1074251?
The CAS number of RefChem:1074251 is 10066-77-0.
What is the molecular formula of RefChem:1074251?
The molecular formula of RefChem:1074251 is C42H68I2N2O4.
What is the molecular weight of RefChem:1074251?
The molecular weight of RefChem:1074251 is 918.32684 g/mol.
Where can I buy RefChem:1074251?
You can request a quote for RefChem:1074251 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1074251?
Yes, CoreyChem provides custom synthesis services for RefChem:1074251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.