Thioctate trometamol
TL;DR: Thioctate trometamol (CAS 137314-40-0) is a chemical compound with molecular formula C12H25NO5S2 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-(hydroxymethyl)propane-1,3-diol;5-(dithiolan-3-yl)pentanoic acid
Also Known As: Thioctate trometamol, Dexlipotam, R-alpha-Lipoic acid tromethamine salt, Thioctic acid tromethamine, EINECS 238-329-9
| Molecular Formula | C12H25NO5S2 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 0.4459 |
| Topological Polar Surface Area | 124.01 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.1174 |
| Heavy Atoms | 20 |
| Complexity | 249.96758 |
Chemical Identifiers
| CAS Number | 137314-40-0 |
|---|---|
| SMILES | C1CSSC1CCCCC(=O)O.C(C(CO)(CO)N)O |
Product Overview
Thioctate trometamol (CAS 137314-40-0), with molecular formula C12H25NO5S2 and molecular weight 327.12 g/mol. IUPAC: 2-amino-2-(hydroxymethyl)propane-1,3-diol;5-(dithiolan-3-yl)pentanoic acid.
Chemical Property Profile of Thioctate trometamol
Property Insights of Thioctate trometamol
The XLogP value of 0.4459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioctate trometamol. The TPSA of 124.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioctate trometamol. Following Lipinski's Rule of Five, Thioctate trometamol has 5 hydrogen bond donor(s) and 7 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 Thioctate trometamol?
The CAS number of Thioctate trometamol is 137314-40-0.
What is the molecular formula of Thioctate trometamol?
The molecular formula of Thioctate trometamol is C12H25NO5S2.
What is the molecular weight of Thioctate trometamol?
The molecular weight of Thioctate trometamol is 327.12 g/mol.
Where can I buy Thioctate trometamol?
You can request a quote for Thioctate trometamol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioctate trometamol?
Yes, KEHONG BIO provides custom synthesis services for Thioctate trometamol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.