Methyl 5-(dithiolan-3-yl)pentanoate
TL;DR: Methyl 5-(dithiolan-3-yl)pentanoate (CAS 46236-19-5) is a chemical compound with molecular formula C9H16O2S2 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(dithiolan-3-yl)pentanoate
Also Known As: Methyl lipoate, Methyl thioctate, Methyl 5-(dithiolan-3-yl)pentanoate, Thioctic Acid Impurity 43, Lipoic Acid Impurity 17
| Molecular Formula | C9H16O2S2 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 2.8735 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.05917 |
| Heavy Atoms | 13 |
| Complexity | 155.6937 |
Chemical Identifiers
| CAS Number | 46236-19-5 |
|---|---|
| SMILES | COC(=O)CCCCC1CCSS1 |
Product Overview
Methyl 5-(dithiolan-3-yl)pentanoate (CAS 46236-19-5), with molecular formula C9H16O2S2 and molecular weight 220.06 g/mol. IUPAC: methyl 5-(dithiolan-3-yl)pentanoate.
Chemical Property Profile of Methyl 5-(dithiolan-3-yl)pentanoate
Property Insights of Methyl 5-(dithiolan-3-yl)pentanoate
The XLogP value of 2.8735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(dithiolan-3-yl)pentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-(dithiolan-3-yl)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-(dithiolan-3-yl)pentanoate has 0 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 Methyl 5-(dithiolan-3-yl)pentanoate?
The CAS number of Methyl 5-(dithiolan-3-yl)pentanoate is 46236-19-5.
What is the molecular formula of Methyl 5-(dithiolan-3-yl)pentanoate?
The molecular formula of Methyl 5-(dithiolan-3-yl)pentanoate is C9H16O2S2.
What is the molecular weight of Methyl 5-(dithiolan-3-yl)pentanoate?
The molecular weight of Methyl 5-(dithiolan-3-yl)pentanoate is 220.06 g/mol.
Where can I buy Methyl 5-(dithiolan-3-yl)pentanoate?
You can request a quote for Methyl 5-(dithiolan-3-yl)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(dithiolan-3-yl)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(dithiolan-3-yl)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.