3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate
TL;DR: 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate (CAS 38677-66-6) is a chemical compound with molecular formula C25H47NO4 and molecular weight 425.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate
Also Known As: Oleoylcarnitine, oleoyl-L-carnitine, 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate, (3R)-3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate, 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, inner salt
| Molecular Formula | C25H47NO4 |
|---|---|
| Molecular Weight | 425.35 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 425.3505 |
| Heavy Atoms | 30 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 38677-66-6 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
| InChIKey | IPOLTUVFXFHAHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate (CAS 38677-66-6), with molecular formula C25H47NO4 and molecular weight 425.35 g/mol. IUPAC: 3-octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate.
Chemical Property Profile of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate
Property Insights of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate
The XLogP value of 7.9 indicates that 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate. Following Lipinski's Rule of Five, 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate?
The CAS number of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate is 38677-66-6.
What is the molecular formula of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate?
The molecular formula of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate is C25H47NO4.
What is the molecular weight of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate?
The molecular weight of 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate is 425.35 g/mol.
Where can I buy 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate?
You can request a quote for 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Octadec-9-enoyloxy-4-(trimethylazaniumyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.