4-Pentenoylcarnitine
TL;DR: 4-Pentenoylcarnitine (CAS 20224-65-1) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.15 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-oxohept-6-enoate
Also Known As: 4-Pentenoylcarnitine, 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxohept-6-enoate, 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxo-4-pentenyl)oxy)-, inner salt, RefChem:100304
| Molecular Formula | C12H21NO4 |
|---|---|
| Molecular Weight | 243.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 243.14706 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 20224-65-1 |
|---|---|
| SMILES | C[N+](C)(C)CC(C(C(=O)CCC=C)C(=O)[O-])O |
| InChIKey | PORPGMPMXKKUMS-UHFFFAOYSA-N |
Product Overview
4-Pentenoylcarnitine (CAS 20224-65-1), with molecular formula C12H21NO4 and molecular weight 243.15 g/mol. IUPAC: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxohept-6-enoate.
Chemical Property Profile of 4-Pentenoylcarnitine
Property Insights of 4-Pentenoylcarnitine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoylcarnitine. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pentenoylcarnitine. Following Lipinski's Rule of Five, 4-Pentenoylcarnitine 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 4-Pentenoylcarnitine?
The CAS number of 4-Pentenoylcarnitine is 20224-65-1.
What is the molecular formula of 4-Pentenoylcarnitine?
The molecular formula of 4-Pentenoylcarnitine is C12H21NO4.
What is the molecular weight of 4-Pentenoylcarnitine?
The molecular weight of 4-Pentenoylcarnitine is 243.15 g/mol.
Where can I buy 4-Pentenoylcarnitine?
You can request a quote for 4-Pentenoylcarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoylcarnitine?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoylcarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.