2-Mercaptobutyrylcarnitine chloride
TL;DR: 2-Mercaptobutyrylcarnitine chloride (CAS 83544-85-8) is a chemical compound with molecular formula C11H22ClNO4S and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-carboxy-2-(2-sulfanylbutanoyloxy)propyl]-trimethylazanium chloride
Also Known As: 2-Mercaptobutyryl carnitine chloride, 2-Mercaptobutyrylcarnitine chloride, 1-Propanaminium, 3-carboxy-2-(2-mercapto-1-oxopropoxy)-N,N,N-trimethyl-, chloride, 3-Carboxy-2-(2-mercapto-1-oxopropoxy)-N,N,N-trimethyl-1-propanaminium chloride, [4-hydroxy-4-oxo-2-(2-sulfanylbutanoyloxy)butyl]-trimethylazanium chloride
| Molecular Formula | C11H22ClNO4S |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | -2.2085 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.0958 |
| Heavy Atoms | 18 |
| Complexity | 280.707 |
Chemical Identifiers
| CAS Number | 83544-85-8 |
|---|---|
| SMILES | CCC(C(=O)OC(CC(=O)O)C[N+](C)(C)C)S.[Cl-] |
Product Overview
2-Mercaptobutyrylcarnitine chloride (CAS 83544-85-8), with molecular formula C11H22ClNO4S and molecular weight 299.10 g/mol. IUPAC: [3-carboxy-2-(2-sulfanylbutanoyloxy)propyl]-trimethylazanium chloride.
Chemical Property Profile of 2-Mercaptobutyrylcarnitine chloride
Property Insights of 2-Mercaptobutyrylcarnitine chloride
The XLogP value of -2.2085 indicates that 2-Mercaptobutyrylcarnitine 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 2-Mercaptobutyrylcarnitine chloride. Following Lipinski's Rule of Five, 2-Mercaptobutyrylcarnitine 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 2-Mercaptobutyrylcarnitine chloride?
The CAS number of 2-Mercaptobutyrylcarnitine chloride is 83544-85-8.
What is the molecular formula of 2-Mercaptobutyrylcarnitine chloride?
The molecular formula of 2-Mercaptobutyrylcarnitine chloride is C11H22ClNO4S.
What is the molecular weight of 2-Mercaptobutyrylcarnitine chloride?
The molecular weight of 2-Mercaptobutyrylcarnitine chloride is 299.10 g/mol.
Where can I buy 2-Mercaptobutyrylcarnitine chloride?
You can request a quote for 2-Mercaptobutyrylcarnitine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptobutyrylcarnitine chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptobutyrylcarnitine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.