RefChem:318958
TL;DR: RefChem:318958 (CAS 63981-81-7) is a chemical compound with molecular formula C16H27IN2O2 and molecular weight 406.11172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl]-trimethylazanium iodide
Also Known As: (5-tert-Butyl-2-hydroxyphenyl)trimethylammonium iodide dimethylcarbamate, Ammonium, (5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl)trimethyl-, iodide, Ammonium, ((2-hydroxy-5-tert-butyl)phenyl)trimethyl-, iodide, dimethylcarbamate, Carbamic acid, dimethyl-, (4-tert-butyl-2-(trimethylammonio)phenyl) ester, iodide, [5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl]-trimethylazanium iodide
Technical Specifications
| Molecular Formula | C16H27IN2O2 |
| Molecular Weight | 406.11172 g/mol |
| XLogP | 0.25 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.11172 Da |
| Heavy Atoms | 21 |
| Complexity | 339.0 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OC(=O)N(C)C)[N+](C)(C)C.[I-] |
| InChIKey | ZAFFTPYEJOWYJA-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:318958
Property Insights of RefChem:318958
The XLogP value of 0.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318958. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318958 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318958 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:318958?
The CAS number of RefChem:318958 is 63981-81-7.
What is the molecular formula of RefChem:318958?
The molecular formula of RefChem:318958 is C16H27IN2O2.
What is the molecular weight of RefChem:318958?
The molecular weight of RefChem:318958 is 406.11172 g/mol.
Where can I buy RefChem:318958?
You can request a quote for RefChem:318958 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318958?
Yes, CoreyChem provides custom synthesis services for RefChem:318958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.