Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)
TL;DR: Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) (CAS 63982-53-6) 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.
dibutyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
Also Known As: Dibutyl(3-hydroxyphenyl)methylammonium iodide methylcarbamate, Carbamic acid, N-methyl-, 3-dibutylaminophenyl ester, methiodide, Benzenaminium, N,N-dibutyl-N-methyl-3-(methylamino)carbonyloxy-, iodide, AMMONIUM, DIBUTYL(m-HYDROXYPHENYL)METHYL-, IODIDE, METHYLCARBAMATE (ester), dibutyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
Technical Specifications
| Molecular Formula | C17H29IN2O2 |
| Molecular Weight | 420.12738 g/mol |
| XLogP | 0.95 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.12738 Da |
| Heavy Atoms | 22 |
| Complexity | 299.0 |
| SMILES | CCCC[N+](C)(CCCC)C1=CC(=CC=C1)OC(=O)NC.[I-] |
| InChIKey | VEFHSUMSPKPJOX-UHFFFAOYSA-N |
Chemical Property Profile of Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)
Property Insights of Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester). With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) has 1 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 Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)?
The CAS number of Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) is 63982-53-6.
What is the molecular formula of Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)?
The molecular formula of Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) is C17H29IN2O2.
What is the molecular weight of Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)?
The molecular weight of Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) is 420.12738 g/mol.
Where can I buy Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)?
You can request a quote for Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)?
Yes, CoreyChem provides custom synthesis services for Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.