3-Phenylpropionylcarnitine
TL;DR: 3-Phenylpropionylcarnitine (CAS 132741-84-5) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 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-oxo-5-phenylpentanoate
Also Known As: 3-Phenylpropionylcarnitine, 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxo-5-phenylpentanoate, 3-(3-phenylpropanoyloxy)-4-(trimethylazaniumyl)butanoate, N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine, RefChem:95342
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 132741-84-5 |
|---|---|
| SMILES | C[N+](C)(C)CC(C(C(=O)CCC1=CC=CC=C1)C(=O)[O-])O |
| InChIKey | ITXWCVOCJKHMIT-UHFFFAOYSA-N |
Product Overview
3-Phenylpropionylcarnitine (CAS 132741-84-5), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxo-5-phenylpentanoate.
Chemical Property Profile of 3-Phenylpropionylcarnitine
Property Insights of 3-Phenylpropionylcarnitine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropionylcarnitine. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenylpropionylcarnitine. Following Lipinski's Rule of Five, 3-Phenylpropionylcarnitine 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-Phenylpropionylcarnitine?
The CAS number of 3-Phenylpropionylcarnitine is 132741-84-5.
What is the molecular formula of 3-Phenylpropionylcarnitine?
The molecular formula of 3-Phenylpropionylcarnitine is C16H23NO4.
What is the molecular weight of 3-Phenylpropionylcarnitine?
The molecular weight of 3-Phenylpropionylcarnitine is 293.16 g/mol.
Where can I buy 3-Phenylpropionylcarnitine?
You can request a quote for 3-Phenylpropionylcarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropionylcarnitine?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropionylcarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.