RefChem:318799
TL;DR: RefChem:318799 (CAS 63981-79-3) is a chemical compound with molecular formula C14H22IN3O3 and molecular weight 407.0706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[[2-[methyl(methylcarbamoyl)carbamoyl]oxyphenyl]methyl]azanium iodide
Also Known As: Carbamic acid, N-methyl-N-(methylcarbamyl)-, 2-(trimethylammonio)methylphenyl ester, iodide, Ammonium, (2-(N-methyl-N-(N'-methylcarbamyl))carbamoyloxy)trimethyl-, iodide, Ammonium, (2-hydroxybenzyl)trimethyl-, iodide, N-methyl-N-(N'-methylcarbamyl)carbamate, Benzenemethanaminium, N,N,N-trimethyl-2-methyl(methylamino)carbonylaminocarbonyloxy-, iodide, Carbamic acid, N-methyl-N-(N'-methylcarbamyl)-, 2-dimethylaminomethylphenyl ester, methiodide
Technical Specifications
| Molecular Formula | C14H22IN3O3 |
| Molecular Weight | 407.0706 g/mol |
| XLogP | -1.33 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0706 Da |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
| SMILES | CNC(=O)N(C)C(=O)OC1=CC=CC=C1C[N+](C)(C)C.[I-] |
| InChIKey | WEXXTSQGGXHLSQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:318799
Property Insights of RefChem:318799
The XLogP value of -1.33 indicates that RefChem:318799 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:318799 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318799 has 1 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:318799?
The CAS number of RefChem:318799 is 63981-79-3.
What is the molecular formula of RefChem:318799?
The molecular formula of RefChem:318799 is C14H22IN3O3.
What is the molecular weight of RefChem:318799?
The molecular weight of RefChem:318799 is 407.0706 g/mol.
Where can I buy RefChem:318799?
You can request a quote for RefChem:318799 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318799?
Yes, CoreyChem provides custom synthesis services for RefChem:318799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.