Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate
TL;DR: Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate (CAS 54099-12-6) is a chemical compound with molecular formula C19H34INO2 and molecular weight 435.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium iodide
Also Known As: 1-Adamantaneacetic acid, 3-(dimethylamino)propyl ester, ethyl iodide, 2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium iodide, AMMONIUM, (2-HYDROXYPROPYL)DIMETHYLETHYL-, IODIDE, 1-ADAMANTANEACETATE, (2-HYDROXYPROPYL)DIMETHYLETHYLAMMONIUM IODIDE 1-ADAMANTANEACETATE, 2-{[(Adamantan-1-yl)acetyl]oxy}-N-ethyl-N,N-dimethylpropan-1-aminium iodide
| Molecular Formula | C19H34INO2 |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 0.62 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.16342 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 54099-12-6 |
|---|---|
| SMILES | CC[N+](C)(C)CC(C)OC(=O)CC12CC3CC(C1)CC(C3)C2.[I-] |
| InChIKey | KBIQABKMSONMIL-UHFFFAOYSA-M |
Product Overview
Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate (CAS 54099-12-6), with molecular formula C19H34INO2 and molecular weight 435.16 g/mol. IUPAC: 2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium iodide.
Chemical Property Profile of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate
Property Insights of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate 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
Frequently Asked Questions
What is the CAS number of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate?
The CAS number of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate is 54099-12-6.
What is the molecular formula of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate?
The molecular formula of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate is C19H34INO2.
What is the molecular weight of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate?
The molecular weight of Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate is 435.16 g/mol.
Where can I buy Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate?
You can request a quote for Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.