5-(1-Oxodithiolan-3-yl)pentanoic acid
TL;DR: 5-(1-Oxodithiolan-3-yl)pentanoic acid (CAS 6992-30-9) is a chemical compound with molecular formula C8H14O3S2 and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-oxodithiolan-3-yl)pentanoic acid
Also Known As: beta-Lipoic acid, Protogen-B, Thioctic Acid Impurity 3, Thioctic Acid Impurity E, Lipoic Acid Impurity 13
| Molecular Formula | C8H14O3S2 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 1.8006 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.03844 |
| Heavy Atoms | 13 |
| Complexity | 205.56583 |
Chemical Identifiers
| CAS Number | 6992-30-9 |
|---|---|
| SMILES | C1CS(=O)SC1CCCCC(=O)O |
Product Overview
5-(1-Oxodithiolan-3-yl)pentanoic acid (CAS 6992-30-9), with molecular formula C8H14O3S2 and molecular weight 222.04 g/mol. IUPAC: 5-(1-oxodithiolan-3-yl)pentanoic acid.
Chemical Property Profile of 5-(1-Oxodithiolan-3-yl)pentanoic acid
Property Insights of 5-(1-Oxodithiolan-3-yl)pentanoic acid
The XLogP value of 1.8006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Oxodithiolan-3-yl)pentanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-(1-Oxodithiolan-3-yl)pentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Oxodithiolan-3-yl)pentanoic acid has 1 hydrogen bond donor(s) and 3 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-(1-Oxodithiolan-3-yl)pentanoic acid?
The CAS number of 5-(1-Oxodithiolan-3-yl)pentanoic acid is 6992-30-9.
What is the molecular formula of 5-(1-Oxodithiolan-3-yl)pentanoic acid?
The molecular formula of 5-(1-Oxodithiolan-3-yl)pentanoic acid is C8H14O3S2.
What is the molecular weight of 5-(1-Oxodithiolan-3-yl)pentanoic acid?
The molecular weight of 5-(1-Oxodithiolan-3-yl)pentanoic acid is 222.04 g/mol.
Where can I buy 5-(1-Oxodithiolan-3-yl)pentanoic acid?
You can request a quote for 5-(1-Oxodithiolan-3-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Oxodithiolan-3-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Oxodithiolan-3-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.