RefChem:318796
TL;DR: RefChem:318796 (CAS 101710-54-7) is a chemical compound with molecular formula C17H29IN2O2 and molecular weight 420.12738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(dimethylcarbamoyloxy)-4-(2,2-dimethylpropyl)phenyl]-trimethylazanium iodide
Also Known As: (2-Hydroxy-5-tert-pentylphenyl)trimethylammonium iodide dimethylcarbamate, Ammonium, (2-hydroxy-5-tert-pentylphenyl)trimethyl-, iodide, dimethylcarbamate (ester), [2-(Dimethylcarbamoyloxy)-4-(2,2-dimethylpropyl)phenyl]-trimethylazaniumiodide, [2-(dimethylcarbamoyloxy)-4-(2,2-dimethylpropyl)phenyl]-trimethylazanium, [2-(dimethylcarbamoyloxy)-4-(2,2-dimethylpropyl)phenyl]-trimethylazanium iodide
Technical Specifications
| Molecular Formula | C17H29IN2O2 |
| Molecular Weight | 420.12738 g/mol |
| XLogP | 0.54 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.12738 Da |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
| SMILES | CC(C)(C)CC1=CC(=C(C=C1)[N+](C)(C)C)OC(=O)N(C)C.[I-] |
| InChIKey | BDKFYEGXJFVKET-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:318796
Property Insights of RefChem:318796
The XLogP value of 0.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318796. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318796 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318796 has 0 hydrogen bond donor(s) and 3 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:318796?
The CAS number of RefChem:318796 is 101710-54-7.
What is the molecular formula of RefChem:318796?
The molecular formula of RefChem:318796 is C17H29IN2O2.
What is the molecular weight of RefChem:318796?
The molecular weight of RefChem:318796 is 420.12738 g/mol.
Where can I buy RefChem:318796?
You can request a quote for RefChem:318796 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318796?
Yes, CoreyChem provides custom synthesis services for RefChem:318796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.