![2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate structure](/static/products/3992/3992-45-8.webp)
2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate
TL;DR: 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate (CAS 3992-45-8) is a chemical compound with molecular formula C17H33NO4 and molecular weight 315.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate
Also Known As: Decanoylcarnitine, Sodium nitroprusside, 2- -3-oxododecanoate, 3-decanoyloxy-4-(trimethylazaniumyl)butanoate, 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate
| Molecular Formula | C17H33NO4 |
|---|---|
| Molecular Weight | 315.24 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 315.24097 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 3992-45-8 |
|---|---|
| SMILES | CCCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-] |
| InChIKey | QDFUGZFFTZZWFP-UHFFFAOYSA-N |
Product Overview
2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate (CAS 3992-45-8), with molecular formula C17H33NO4 and molecular weight 315.24 g/mol. IUPAC: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate.
Chemical Property Profile of 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate
Property Insights of 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate
The XLogP value of 3.8 indicates that 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate. Following Lipinski's Rule of Five, 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate 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 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate?
The CAS number of 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate is 3992-45-8.
What is the molecular formula of 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate?
The molecular formula of 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate is C17H33NO4.
What is the molecular weight of 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate?
The molecular weight of 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate is 315.24 g/mol.
Where can I buy 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate?
You can request a quote for 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.