![[3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium structure](/static/products/1123/112344-62-4.webp)
[3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium
TL;DR: [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium (CAS 112344-62-4) is a chemical compound with molecular formula C12H24NO4+ and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium
Also Known As: Pivaloyl carnitine, Pivaloylcarnitine, [3-carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethyl-azanium, [2-(2,2-dimethylpropanoyloxy)-4-hydroxy-4-oxobutyl]-trimethylazanium
| Molecular Formula | C12H24NO4+ |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 246.17053 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 112344-62-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC(CC(=O)O)C[N+](C)(C)C |
| InChIKey | YICAQFPUDACYGQ-UHFFFAOYSA-O |
Product Overview
[3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium (CAS 112344-62-4), with molecular formula C12H24NO4+ and molecular weight 246.17 g/mol. IUPAC: [3-carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium.
Chemical Property Profile of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium
Property Insights of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium. Following Lipinski's Rule of Five, [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium 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
Frequently Asked Questions
What is the CAS number of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium?
The CAS number of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium is 112344-62-4.
What is the molecular formula of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium?
The molecular formula of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium is C12H24NO4+.
What is the molecular weight of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium?
The molecular weight of [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium is 246.17 g/mol.
Where can I buy [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium?
You can request a quote for [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium?
Yes, KEHONG BIO provides custom synthesis services for [3-Carboxy-2-(2,2-dimethylpropanoyloxy)propyl]-trimethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.