RefChem:339966
TL;DR: RefChem:339966 (CAS 101361-01-7) is a chemical compound with molecular formula C18H28INO2S and molecular weight 449.08856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-[2-(1-phenylsulfanylcyclobutanecarbonyl)oxyethyl]azanium iodide
Also Known As: N,N-Diethyl-N-methyl-2-(((1-(phenylthio)cyclobutyl)carbonyl)oxy)ethanaminium iodide, Ethanaminium, N,N-diethyl-N-methyl-2-(((1-(phenylthio)cyclobutyl)carbonyl)oxy)-, iodide, 9H-Fluoren-9-one, O-[(benzoylamino)thioxomethyl]oxime, dibutylstannanediyl bis(2-((2-phenoxyethyl)thio)acetate), Diethyl-methyl-[2-(1-phenylsulfanylcyclobutanecarbonyl)oxyethyl]azaniumiodide
Technical Specifications
| Molecular Formula | C18H28INO2S |
| Molecular Weight | 449.08856 g/mol |
| XLogP | 0.74 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.08856 Da |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
| SMILES | CC[N+](C)(CC)CCOC(=O)C1(CCC1)SC2=CC=CC=C2.[I-] |
| InChIKey | UYEHBGUFDKQNEZ-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:339966
Property Insights of RefChem:339966
The XLogP value of 0.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339966. With a topological polar surface area (TPSA) of 51.6 Ų, RefChem:339966 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339966 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:339966?
The CAS number of RefChem:339966 is 101361-01-7.
What is the molecular formula of RefChem:339966?
The molecular formula of RefChem:339966 is C18H28INO2S.
What is the molecular weight of RefChem:339966?
The molecular weight of RefChem:339966 is 449.08856 g/mol.
Where can I buy RefChem:339966?
You can request a quote for RefChem:339966 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:339966?
Yes, CoreyChem provides custom synthesis services for RefChem:339966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.