5-Mercaptovaleryl carnitine chloride
TL;DR: 5-Mercaptovaleryl carnitine chloride (CAS 83544-86-9) is a chemical compound with molecular formula C12H24ClNO4S and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-carboxy-2-(5-sulfanylpentanoyloxy)propyl]-trimethylazanium chloride
Also Known As: 5-Mercaptovaleryl carnitine chloride, (R)-3-Carboxy-2-((5-mercapto-1-oxopentyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride, 1-Propanaminium, 3-carboxy-2-((5-mercapto-1-oxopentyl)oxy)-N,N,N-trimethyl-, chloride, (R)-, [(2R)-4-hydroxy-4-oxo-2-(5-sulfanylpentanoyloxy)butyl]-trimethylazanium chloride, RefChem:303640
| Molecular Formula | C12H24ClNO4S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | -1.8168 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.11145 |
| Heavy Atoms | 19 |
| Complexity | 281.3932 |
Chemical Identifiers
| CAS Number | 83544-86-9 |
|---|---|
| SMILES | C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCS.[Cl-] |
Product Overview
5-Mercaptovaleryl carnitine chloride (CAS 83544-86-9), with molecular formula C12H24ClNO4S and molecular weight 313.11 g/mol. IUPAC: [(2R)-3-carboxy-2-(5-sulfanylpentanoyloxy)propyl]-trimethylazanium chloride.
Chemical Property Profile of 5-Mercaptovaleryl carnitine chloride
Property Insights of 5-Mercaptovaleryl carnitine chloride
The XLogP value of -1.8168 indicates that 5-Mercaptovaleryl carnitine chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Mercaptovaleryl carnitine chloride. Following Lipinski's Rule of Five, 5-Mercaptovaleryl carnitine chloride has 2 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 5-Mercaptovaleryl carnitine chloride?
The CAS number of 5-Mercaptovaleryl carnitine chloride is 83544-86-9.
What is the molecular formula of 5-Mercaptovaleryl carnitine chloride?
The molecular formula of 5-Mercaptovaleryl carnitine chloride is C12H24ClNO4S.
What is the molecular weight of 5-Mercaptovaleryl carnitine chloride?
The molecular weight of 5-Mercaptovaleryl carnitine chloride is 313.11 g/mol.
Where can I buy 5-Mercaptovaleryl carnitine chloride?
You can request a quote for 5-Mercaptovaleryl carnitine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercaptovaleryl carnitine chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercaptovaleryl carnitine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.